Glycine,N-(3-hydroxybenzoyl)- supplier

Name
3-Hydroxyhippuricacid
EINECS
CAS No. 1637-75-8
Article Data9
CAS DataBase
Density 1.4g/cm³
Solubility
Melting Point 185 °C(Solv: water (7732-18-5))
Formula C₉H₉NO₄
Boiling Point 489.8 °C at 760 mmHg
Molecular Weight 195.175
Flash Point 250 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hippuric acid,m-hydroxy- (6CI,7CI,8CI);3-Hydroxybenzoylglycine;3-Hydroxyhippuric acid;N-m-Hydroxylbenzoylglycine;m-Hydroxyhippuric acid;
PSA 90.12000
LogP 0.78140

Glycine,N-(3-hydroxybenzoyl)- 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

Product Name

3-Hydroxyhippuricacid

Glycine,N-(3-hydroxybenzoyl)- Specification

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