Propanedioic acid,2-(4-hydroxyphenyl)- supplier

Name
4-hydroxyphenylmalonic acid
EINECS 264-658-2
CAS No. 64076-52-4
Density 1.542 g/cm³
Solubility
Melting Point
Formula C₉H₈O₅
Boiling Point 441.1 °C at 760 mmHg
Molecular Weight 196.15682
Flash Point 234.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanedioicacid, (4-hydroxyphenyl)- (9CI);4-Hydroxyphenylmalonic acid;
PSA 94.83000
LogP 0.64500

Propanedioic acid,2-(4-hydroxyphenyl)- Specification

The CAS registry number of Propanedioic acid,2-(4-hydroxyphenyl)- is 64076-52-4. This chemical is also named as 4-Hydroxyphenylmalonic acid. Its EINECS registry number is 264-658-2. In addition, its molecular formula is C₉H₈O₅ and molecular weight is 196.15682. Its IUPAC name is called 2-(4-hydroxyphenyl)propanedioic acid.

Physical properties about Propanedioic acid,2-(4-hydroxyphenyl)- are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.14; (4)ACD/LogD (pH 7.4): -3.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 45.44 cm³; (14)Molar Volume: 127.1 cm³; (15)Surface Tension: 80.4 dyne/cm; (16)Density: 1.542 g/cm³; (17)Flash Point: 234.7 °C; (18)Enthalpy of Vaporization: 73.61 kJ/mol; (19)Boiling Point: 441.1 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C(=O)O)c1ccc(O)cc1
(2)InChI: InChI=1/C9H8O5/c10-6-3-1-5(2-4-6)7(8(11)12)9(13)14/h1-4,7,10H,(H,11,12)(H,13,14)
(3)InChIKey: RXVOSJKRWDTBBH-UHFFFAOYAT

Product Name

4-hydroxyphenylmalonic acid

Propanedioic acid,2-(4-hydroxyphenyl)- Specification

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