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72136-39-1 | 2H-1-Benzopyran-2-one, 7-methoxy-3-methyl-
CAS No: 72136-39-1 Catalog No: AG005JTI MDL No:
Product Description
Catalog Number:
AG005JTI
Chemical Name:
2H-1-Benzopyran-2-one, 7-methoxy-3-methyl-
CAS Number:
72136-39-1
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
7-methoxy-3-methylchromen-2-one
InChI:
InChI=1S/C11H10O3/c1-7-5-8-3-4-9(13-2)6-10(8)14-11(7)12/h3-6H,1-2H3
InChI Key:
LMFMSNMYCXCPRY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(=O)c(c2)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacological evaluation of coumarin derivatives as cannabinoid receptor antagonists and inverse agonists. | Bioorganic & medicinal chemistry 20090401 |
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