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| CAS No.: | 88241-65-0 |
|---|---|
| Name: | COUMARIN 6 |
| Article Data: | 39 |
| Molecular Structure: | |
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| Formula: | C15H12O2 |
| Molecular Weight: | 224.259 |
| Synonyms: | (E)-4-Phenylcinnamic acid;trans-3-(4-Phenylphenyl)-2-propenoic acid;trans-4-Phenylcinnamic acid; |
| EINECS: | 253-830-2 |
| Density: | 1.178 g/cm3 |
| Melting Point: | 224-228 °C |
| Boiling Point: | 412.912 °C at 760 mmHg |
| Flash Point: | 308.021 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 22-24/25 |
| PSA: | 74.58000 |
| LogP: | 4.91590 |
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- 90221-55-92-bromo-5-methylbenzaldehyde
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- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
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- Total:19 Page 1 of 1 1
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Specification
The 2-Propenoic acid,3-[1,1'-biphenyl]-4-yl-, (2E)-, with the CAS registry number 88241-65-0, is also known as (2E)-3-(Biphenyl-4-yl)acrylic acid. This chemical's molecular formula is C15H12O2 and molecular weight is 224.25. What's more, its systematic name is called (2E)-3-(4-Biphenylyl)acrylic acid.
Physical properties about 2-Propenoic acid,3-[1,1'-biphenyl]-4-yl-, (2E)- are: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 72.31; (6)ACD/BCF (pH 7.4): 1.14; (7)ACD/KOC (pH 5.5): 367.73; (8)ACD/KOC (pH 7.4): 5.82; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 68.299 cm3; (15)Molar Volume: 190.319 cm3; (16)Polarizability: 27.076×10-24cm3; (17)Surface Tension: 49.723 dyne/cm; (18)Density: 1.178 g/cm3; (19)Flash Point: 308.021 °C; (20)Enthalpy of Vaporization: 70.18 kJ/mol; (21)Boiling Point: 412.912 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)\C=C\c2ccc(c1ccccc1)cc2
(2) InChI: InChI=1S/C15H12O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+
(3) InChIKey: DMJDEZUEYXVYNO-DHZHZOJOSA-N