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CAS No.: | 3158-74-5 |
---|---|
Name: | 2-CYCLOPROPYLBENZOIC ACID |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H10O2 |
Molecular Weight: | 162.188 |
Synonyms: | 2-Cyclopropylbenzoic Acid |
Density: | 1.248 g/cm3 |
Melting Point: | 102-106 °C |
Boiling Point: | 282.4 °C at 760 mmHg |
Flash Point: | 130.5 °C |
PSA: | 37.30000 |
LogP: | 2.26220 |
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The CAS registry number of Benzoic acid, 2-cyclopropyl- is 3158-74-5. This chemical's molecular formula is C10H10O2 and molecular weight is 162.1852. What's more, its systematic name is called 2-Cyclopropylbenzoic acid.
Physical properties about Benzoic acid, 2-cyclopropyl- are: (1)ACD/LogP: 2.95; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 4.05; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 37.82; (8)ACD/KOC (pH 7.4): 1.16; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 45.2 cm3; (15)Molar Volume: 129.9 cm3; (16)Polarizability: 17.92×10-24 cm3; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 130.5 °C; (20)Enthalpy of Vaporization: 55.05 kJ/mol; (21)Boiling Point: 282.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00159 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccccc1C2CC2
(2) InChI: InChI=1/C10H10O2/c11-10(12)9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6H2,(H,11,12)
(3) InChIKey: NEWMOJFYPOJQIR-UHFFFAOYAD