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41301-44-4

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Basic Information
CAS No.: 41301-44-4
Name: Methyl trans-3-formyl-2,2-dimethylcyclopropanecarboxylate
Article Data: 7
Molecular Structure:
Molecular Structure of 41301-44-4 (Methyl trans-3-formyl-2,2-dimethylcyclopropanecarboxylate)
Formula: C8H12O3
Molecular Weight: 156.181
Synonyms: Cyclopropanecarboxylicacid, 3-formyl-2,2-dimethyl-, methyl ester, trans-;Methyl trans-2,2-dimethyl-3-formylcyclopropanecarboxylate;methyl cis-3-formyl-2,2-dimethylcyclopropanecarboxylate;
EINECS: 255-303-2
Density: 1.149 g/cm3
Boiling Point: 186.8 °C at 760 mmHg
Flash Point: 69.2 °C
PSA: 43.37000
LogP: 0.63050
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  • Methyl trans-3-formyl-2,2-dimethylcyclopropanecarboxylate

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    Methyl trans-3-formyl-2,2-dimethylcyclopropanecarboxylate

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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  • Methyl trans-3-formyl-2,2-dimethylcyclopropanecarboxylate

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    Methyl trans-3-formyl-2,2-dimethylcyclopropanecarboxylate

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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  • Methyl trans-3-formyl-2,2-dimethylcyclopropanecarboxylate

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    41301-44-4

    Methyl trans-3-formyl-2,2-dimethylcyclopropanecarboxylate

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Specification

The Methyl trans-3-formyl-2,2-dimethylcyclopropanecarboxylate, with the CAS registry number 41301-44-4, is also known as Methyl cis-3-formyl-2,2-dimethylcyclopropanecarboxylate. Its EINECS number is 255-303-2. This chemical's molecular formula is C8H12O3 and molecular weight is 156.18. What's more, its IUPC name is methyl (1R,3R)-3-formyl-2,2-dimethylcyclopropane-1-carboxylate.

Computational chemistry data of Methyl trans-3-formyl-2,2-dimethylcyclopropanecarboxylate are: (1)XLogP3-AA: 0.5; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 3; (5)Tautomer Count: 2; (6)Exact Mass: 156.078644; (7)MonoIsotopic Mass: 156.078644; (8)Topological Polar Surface Area: 43.4; (9)Heavy Atom Count: 11; (10)Formal Charge: 0; (11)Complexity: 196; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 2; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1; (18)Feature 3D Acceptor Count: 2; (19)Feature 3D Hydrophobe Count: 1; (20)Effective Rotor Count: 3.6; (21)Conformer Sampling RMSD: 0.6; (22)CID Conformer Count: 3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(C(C1C(=O)OC)C=O)C
(2)InChI: InChI=1S/C8H12O3/c1-8(2)5(4-9)6(8)7(10)11-3/h4-6H,1-3H3/t5-,6+/m1/s1
(3)InChIKey: KVSRWNPBUMDYOQ-RITPCOANSA-N