1,2-Propanedione,1-(4-hydroxyphenyl)- supplier

Name
1-(4-hydroxyphenyl)propane-1,2-dione
EINECS
CAS No. 10087-36-2
Article Data3
CAS DataBase
Density 1.234 g/cm³
Solubility
Melting Point
Formula C₉H₈O₃
Boiling Point 316.4 °C at 760 mmHg
Molecular Weight 164.161
Flash Point 159.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Propanedione,1-(p-hydroxyphenyl)- (6CI,7CI,8CI);1-(4-Hydroxybenzoyl)ethanone;1-(4-Hydroxyphenyl)-1,2-propanedione;1-(p-Hydroxyphenyl)-1,2-propanedione;NSC274952;
PSA
LogP

1,2-Propanedione,1-(4-hydroxyphenyl)- Specification

The 1,2-Propanedione,1-(4-hydroxyphenyl)-, with the CAS registry number 10087-36-2, is also known as 1-(4-Hydroxybenzoyl)ethanone. This chemical's molecular formula is C₉H₈O₃ and molecular weight is 164.16. What's more, its systematic name is 1-(4-Hdroxyphenyl)propane-1,2-dione.

Physical properties of 1,2-Propanedione,1-(4-hydroxyphenyl)- are: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 43.37 Å²; (7)Index of Refraction: 1.557; (8)Molar Refractivity: 42.82 cm³; (9)Molar Volume: 133 cm³; (10)Polarizability: 16.97×10^-24cm³; (11)Surface Tension: 49.2 dyne/cm; (12)Density: 1.234 g/cm³; (13)Flash Point: 159.3 °C; (14)Enthalpy of Vaporization: 57.99 kJ/mol; (15)Boiling Point: 316.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000222 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C(=O)C1=CC=C(C=C1)O
(2)InChI: InChI=1S/C9H8O3/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-5,11H,1H3
(3)InChIKey: PQRIZEYPOXNMDQ-UHFFFAOYSA-N

Product Name

1-(4-hydroxyphenyl)propane-1,2-dione

1,2-Propanedione,1-(4-hydroxyphenyl)- Specification

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