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3-Bromocyclobutane-1,1-dicarboxylic acid

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Name

3-Bromocyclobutane-1,1-dicarboxylic acid

EINECS N/A
CAS No. 827032-78-0 Density 2.06 g/cm3
PSA 74.60000 LogP 0.69930
Solubility N/A Melting Point N/A
Formula C6H7BrO4 Boiling Point 425.93 °C at 760 mmHg
Molecular Weight 223.023 Flash Point 211.395 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 827032-78-0 (1,1-Cyclobutanedicarboxylic acid, 3-broMo-) Hazard Symbols N/A
Synonyms

1,1-cyclobutanedicarboxylic acid, 3-bromo-;3-Bromocyclobutane-1,1-dicarboxylic acid;LogP

 

3-Bromocyclobutane-1,1-dicarboxylic acid Specification

The CAS registry number of 1,1-Cyclobutanedicarboxylicacid, 3-bromo- is 827032-78-0. Its systematic name is 3-bromocyclobutane-1,1-dicarboxylic acid. In addition, the molecular formula is C6H7BrO4 and the molecular weight is 221.95. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 1,1-Cyclobutanedicarboxylicacid, 3-bromo- are: (1)ACD/LogP: 0.50; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 74.6 Å2; (10)Index of Refraction: 1.627; (11)Molar Refractivity: 38.353 cm3; (12)Molar Volume: 108.268 cm3; (13)Polarizability: 15.204 ×10-24cm3; (14)Surface Tension: 88.58 dyne/cm; (15)Density: 2.06 g/cm3; (16)Flash Point: 211.395 °C; (17)Enthalpy of Vaporization: 74.651 kJ/mol; (18)Boiling Point: 425.93 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: C1C(CC1(C(=O)O)C(=O)O)Br
(2)Std. InChI: InChI=1S/C6H7BrO4/c7-3-1-6(2-3,4(8)9)5(10)11/h3H,1-2H2,(H,8,9)(H,10,11)
(3)Std. InChIKey: LTDLFBABDAEPPQ-UHFFFAOYSA-N

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