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| CAS No.: | 1637-75-8 |
|---|---|
| Name: | 3-Hydroxyhippuricacid |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C9H9NO4 |
| Molecular Weight: | 195.175 |
| Synonyms: | Hippuric acid,m-hydroxy- (6CI,7CI,8CI);3-Hydroxybenzoylglycine;3-Hydroxyhippuric acid;N-m-Hydroxylbenzoylglycine;m-Hydroxyhippuric acid; |
| Density: | 1.4g/cm3 |
| Melting Point: | 185 °C(Solv: water (7732-18-5)) |
| Boiling Point: | 489.8 °C at 760 mmHg |
| Flash Point: | 250 °C |
| PSA: | 90.12000 |
| LogP: | 0.78140 |
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- Total:34 Page 1 of 1 1
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Specification
The Glycine,N-(3-hydroxybenzoyl)-, with CAS registry number 1637-75-8, has the systematic name of N-(3-hydroxybenzoyl)glycine. Besides this, it is also called 2-[(3-hydroxybenzoyl)amino]acetic acid. And the chemical formula of this chemical is C9H9NO4.
Physical properties of Glycine,N-(3-hydroxybenzoyl)-: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 55.84 Å2; (10)Index of Refraction: 1.604; (11)Molar Refractivity: 47.95 cm3; (12)Molar Volume: 139.3 cm3; (13)Polarizability: 19.01×10-24cm3; (14)Surface Tension: 65.8 dyne/cm; (15)Density: 1.4 g/cm3; (16)Flash Point: 250 °C; (17)Enthalpy of Vaporization: 79.64 kJ/mol; (18)Boiling Point: 489.8 °C at 760 mmHg; (19)Vapour Pressure: 2.08E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(O)ccc1)NCC(=O)O
(2)InChI: InChI=1/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
(3)InChIKey: XDOFWFNMYJRHEW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
(5)Std. InChIKey: XDOFWFNMYJRHEW-UHFFFAOYSA-N