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| CAS No.: | 7150-12-1 |
|---|---|
| Name: | 2,2-DIPHENYL-CYCLOPROPANECARBOXYLIC ACID |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C16H14O2 |
| Molecular Weight: | 238.286 |
| Synonyms: | 2,2-Diphenylcyclopropanecarboxylic acid;NSC 120410;NSC 74083; |
| EINECS: | 230-484-0 |
| Density: | 1.239 g/cm3 |
| Melting Point: | 166-169 °C |
| Boiling Point: | 403 °C at 760 mmHg |
| Flash Point: | 185.8 °C |
| PSA: | 37.30000 |
| LogP: | 3.07720 |
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- Total:18 Page 1 of 1 1
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Specification
This chemical is called Cyclopropanecarboxylic acid, 2,2-diphenyl-, and its systematic name is 2,2-Diphenylcyclopropanecarboxylic acid. With the molecular formula of C16H14O2, its molecular weight is 238.28. The CAS registry number of this chemical is 7150-12-1.
Other characteristics of the Cyclopropanecarboxylic acid can be summarised as followings: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 0.61; (5)ACD/BCF (pH 5.5): 24.55; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 193.34; (8)ACD/KOC (pH 7.4): 3.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 68.73 cm3; (15)Molar Volume: 192.2 cm3; (16)Polarizability: 27.24×10-24cm3; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.239 g/cm3; (19)Flash Point: 185.8 °C; (20)Enthalpy of Vaporization: 68.99 kJ/mol; (21)Boiling Point: 403 °C at 760 mmHg; (22)Vapour Pressure: 3.23E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C3CC3(c1ccccc1)c2ccccc2
2.InChI: InChI=1/C16H14O2/c17-15(18)14-11-16(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,18)
3.InChIKey: YITOQLBHYDWJBQ-UHFFFAOYAE