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CAS No.: | 30690-19-8 |
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Name: | Methyl formylcarbamate |
Molecular Structure: | |
Formula: | C3H5NO3 |
Molecular Weight: | 103.08 |
Synonyms: | Carbamic acid, formyl-, methyl ester (8CI,9CI);Methyl N-formylcarbamate;Formylcarbamic acid methyl ester; |
Density: | 1.176 g/cm3 |
Melting Point: | 90-91 °C(Solv: benzene (71-43-2)) |
PSA: | 58.89000 |
LogP: | 0.33910 |
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The Methyl formylcarbamate, with the CAS registry number 30690-19-8, is also known as Formylcarbamic acid methyl ester. This chemical's molecular formula is C3H5NO3 and molecular weight is 103.08. What's more, its systematic name is methyl N-formylcarbamate.
Physical properties of Methyl formylcarbamate are: (1)ACD/LogP: -0.517; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.52; (4)ACD/LogD (pH 7.4): -0.54; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 12.45; (8)ACD/KOC (pH 7.4): 11.93; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.4 Å2; (13)Index of Refraction: 1.405; (14)Molar Refractivity: 21.504 cm3; (15)Molar Volume: 87.673 cm3; (16)Polarizability: 8.525×10-24cm3; (17)Surface Tension: 34.89 dyne/cm; (18)Density: 1.176 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)NC=O
(2)Std. InChI: InChI=1S/C3H5NO3/c1-7-3(6)4-2-5/h2H,1H3,(H,4,5,6)
(3)Std. InChIKey: PAEQHBLXMXRMEA-UHFFFAOYSA-N