Basic information
- Name:
2H-1-Benzopyran-3-acetic acid, 7-methoxy-2-oxo-
- Superlist Name:
- 7-Methoxycoumarin-3-acetic acid
- CAS No.:
765276-64-0
- Molecular Structure:
- Formula:
- C12H10O5
- Molecular Weight:
- 234.20
- Synonyms:
- 2-(7-Methoxy-2-oxo-chromen-3-yl)acetic acid;
- Density:
- 1.367 g/cm3
- Boiling Point:
- 472.858 °C at 760 mmHg
- Flash Point:
- 189.189 °C
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
The 2H-1-Benzopyran-3-acetic acid, 7-methoxy-2-oxo- has the CAS registry number 765276-64-0. This chemical's molecular formula is C12H10O5 and molecular weight is 234.20. What's more, its systematic name is 2-(7-methoxy-2-oxo-chromen-3-yl)acetic acid.
Physical properties of 2H-1-Benzopyran-3-acetic acid, 7-methoxy-2-oxo- are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.484; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.83 Å2; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 57.332 cm3; (13)Molar Volume: 171.289 cm3; (14)Polarizability: 22.728×10-24cm3; (15)Surface Tension: 53.314 dyne/cm; (16)Density: 1.367 g/cm3; (17)Flash Point: 189.189 °C; (18)Enthalpy of Vaporization: 77.523 kJ/mol; (19)Boiling Point: 472.858 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2cc(c(=O)oc2c1)CC(=O)O
(2)Std. InChI: InChI=1S/C12H10O5/c1-16-9-3-2-7-4-8(5-11(13)14)12(15)17-10(7)6-9/h2-4,6H,5H2,1H3,(H,13,14)
(3)Std. InChIKey: UNHYHSXKOVCSSK-UHFFFAOYSA-N
