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30407-92-2 | 1H-2-Benzopyran-1-one, 3,4-dihydro-8-methoxy-3-methyl-
CAS No: 30407-92-2 Catalog No: AG00301F MDL No:
Product Description
Catalog Number:
AG00301F
Chemical Name:
1H-2-Benzopyran-1-one, 3,4-dihydro-8-methoxy-3-methyl-
CAS Number:
30407-92-2
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
8-methoxy-3-methyl-3,4-dihydroisochromen-1-one
InChI:
InChI=1S/C11H12O3/c1-7-6-8-4-3-5-9(13-2)10(8)11(12)14-7/h3-5,7H,6H2,1-2H3
InChI Key:
AYIDXPPINFIJKW-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)OC(C2)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Nodulisporol and Nodulisporone, novel specific inhibitors of human DNA polymerase lambda from a fungus, Nodulisporium sp. | Bioorganic & medicinal chemistry 20070501 |
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