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| CAS No.: | 126575-05-1 |
|---|---|
| Name: | 3-(Formylamino)-3-phenylpropanoic acid |
| Molecular Structure: | |
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| Formula: | C10H11NO3 |
| Molecular Weight: | 193.202 |
| Synonyms: | 3-(Formylamino)-3-phenylpropanoic acid; |
| Density: | 1.232 g/cm3 |
| Melting Point: | 128-129℃ (water ) |
| Boiling Point: | 444.516 °C at 760 mmHg |
| Flash Point: | 222.635 °C |
| PSA: | 69.89000 |
| LogP: | 1.78870 |
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Specification
The 3-(Formylamino)-3-phenypropanoic acid, with the CAS registry number 126575-05-1, is also known as 3-(Formylamino)-3-phenylpropanoic acid. This chemical's molecular formula is C10H11NO3 and molecular weight is 193.201. What's more, its IUPAC name is 3-Formamido-3-phenylpropanoic acid.
Physical properties about 3-(Formylamino)-3-phenypropanoic acid are: (1)ACD/LogP: -1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 66.4 Å2; (11)Index of Refraction: 1.556; (12)Molar Refractivity: 50.417 cm3; (13)Molar Volume: 156.773 cm3; (14)Polarizability: 19.987×10-24 cm3; (15)Surface Tension: 51.875 dyne/cm; (16)Density: 1.232 g/cm3; (17)Flash Point: 222.635 °C; (18)Enthalpy of Vaporization: 74.02 kJ/mol; (19)Boiling Point: 444.516 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)CC(NC=O)c1ccccc1
(2) InChI: InChI=1/C10H11NO3/c12-7-11-9(6-10(13)14)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)
(3) InChIKey: FHCPDHZTKQFWKO-UHFFFAOYAR