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Basic Information
CAS No.: 1129-06-2
Name: 3-Cyclopropylbenzoic acid
Molecular Structure:
Molecular Structure of 1129-06-2 (3-Cyclopropylbenzoic acid)
Formula: C10H10O2
Molecular Weight: 162.188
Synonyms: Benzoicacid, m-cyclopropyl- (7CI,8CI);3-Cyclopropylbenzoic acid;NSC 135140;
Density: 1.248 g/cm3
Melting Point: 119-120 °C
Boiling Point: 312.2 °C at 760 mmHg
Flash Point: 142.4 °C
PSA: 37.30000
LogP: 2.26220
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Specification

The Benzoic acid, 3-cyclopropyl-, with the CAS registry number of 1129-06-2, is also known as Benzoicacid, m-cyclopropyl- (7CI, 8CI). It belongs to the product categories of Carboxylic Acids; Phenyls & Phenyl-Het. This chemical's molecular formula is C10H10O2 and molecular weight is 162.18. What's more, its systematic name is 3-Cyclopropylbenzoic acid.

Physical properties about Benzoic acid, 3-cyclopropyl- are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 45.2 cm3; (9)Molar Volume: 129.9 cm3; (10)Surface Tension: 56 dyne/cm; (11)Density: 1.248 g/cm3; (12)Flash Point: 142.4 °C; (13)Enthalpy of Vaporization: 58.4 kJ/mol; (14)Boiling Point: 312.2 °C at 760 mmHg; (15)Vapour Pressure: 0.000229 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(ccc1)C2CC2
(2) InChI: InChI=1/C10H10O2/c11-10(12)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,11,12)
(3) InChIKey: RQRAQQYDNSRVRK-UHFFFAOYAO