4H-Pyran-4-one, 2- (hydroxymethyl)-5-methoxy- supplier

Name
2-(HYDROXYMETHYL)-5-METHOXY-4H-PYRAN-4-ONE
EINECS
CAS No. 6269-25-6
Article Data31
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point 165-167 °C
Formula C₇H₈O₄
Boiling Point 381.3 °C at 760 mmHg
Molecular Weight 156.138
Flash Point 165.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(hydroxymethyl)-5-methoxy-pyran-4-one;
PSA 59.67000
LogP 0.14070

4H-Pyran-4-one, 2- (hydroxymethyl)-5-methoxy- Specification

The 4H-Pyran-4-one, 2- (hydroxymethyl)-5-methoxy-, with the CAS registry number of 6269-25-6, is also known as 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one. Its molecular formula is C₇H₈O₄ and molecular weight is 156.14. What's more, its IUPAC name is 2-(Hydroxymethyl)-5-methoxypyran-4-one.

Physical properties about the 4H-Pyran-4-one, 2- (hydroxymethyl)-5-methoxy- are: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 44.76 Å²; (7)Index of Refraction: 1.529; (8)Molar Refractivity: 36.9 cm³; (9)Molar Volume: 119.5 cm³; (10)Surface Tension: 45.9 dyne/cm; (11)Density: 1.3 g/cm³; (12)Flash Point: 165.6 °C; (13)Enthalpy of Vaporization: 72.82 kJ/mol; (14)Boiling Point: 381.3 °C at 760 mmHg; (15)Vapour Pressure: 2.22E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C(\O/C=C1/OC)CO
(2) InChI: InChI=1/C7H8O4/c1-10-7-4-11-5(3-8)2-6(7)9/h2,4,8H,3H2,1H3
(3) InChIKey: RLWWKLWEBQOOAB-UHFFFAOYAS

Product Name

2-(HYDROXYMETHYL)-5-METHOXY-4H-PYRAN-4-ONE

4H-Pyran-4-one, 2- (hydroxymethyl)-5-methoxy- Specification

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