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46895-13-0

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Basic Information
CAS No.: 46895-13-0
Name: 4-METHYL 6-HYDROXY 7-ACETOXY COUMARIN
Molecular Structure:
Molecular Structure of 46895-13-0 (4-METHYL 6-HYDROXY 7-ACETOXY COUMARIN)
Formula: C12H10O6
Molecular Weight: 250.05
Synonyms: Aceticacid, [(6-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]- (9CI);
EINECS: 256-286-4
Density: 1.484 g/cm3
Boiling Point: 530.4 °C at 760 mmHg
Flash Point: 211.5 °C
PSA: 76.74000
LogP: 1.73230
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Chemistry

Molecule structure of ((6-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)acetic acid (CAS NO.46895-13-0):

IUPAC Name: 2-(6-Hydroxy-4-methyl-2-oxochromen-7-yl)oxyacetic acid 
Molecular Weight: 250.2042 g/mol
Molecular Formula: C12H10O6 
Density: 1.483 g/cm3 
Boiling Point: 530.4 °C at 760 mmHg 
Flash Point: 211.5 °C
Index of Refraction: 1.619
Molar Refractivity: 59.22 cm3
Molar Volume: 168.6 cm3
Surface Tension: 64.5 dyne/cm 
Enthalpy of Vaporization: 84.81 kJ/mol
Vapour Pressure: 4.42E-12 mmHg at 25 °C
XLogP3-AA: 1
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 250.047738
MonoIsotopic Mass: 250.047738
Topological Polar Surface Area: 93.1
Heavy Atom Count: 18
Canonical SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)O)OCC(=O)O
InChI: InChI=1S/C12H10O6/c1-6-2-12(16)18-9-4-10(17-5-11(14)15)8(13)3-7(6)9/h2-4,13H,5H2,1H3,(H,14,15)
InChIKey of ((6-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)acetic acid (CAS NO.46895-13-0): PLEFEZPTTKWFDT-UHFFFAOYSA-N
EINECS: 256-286-4

Specification

 ((6-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)acetic acid (CAS NO.46895-13-0) is also named as Acetic acid, ((6-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)- .