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20280-81-3 | 2H-1-Benzopyran-2-one, 4-methoxy-
CAS No: 20280-81-3 Catalog No: AG0028FI MDL No:MFCD00017349
Product Description
Catalog Number:
AG0028FI
Chemical Name:
2H-1-Benzopyran-2-one, 4-methoxy-
CAS Number:
20280-81-3
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD00017349
IUPAC Name:
4-methoxychromen-2-one
InChI:
InChI=1S/C10H8O3/c1-12-9-6-10(11)13-8-5-3-2-4-7(8)9/h2-6H,1H3
InChI Key:
MLCMXDYMSAZNPC-UHFFFAOYSA-N
SMILES:
COc1cc(=O)oc2c1cccc2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of alkoxycoumarins as novel nematicidal constituents. | Bioorganic & medicinal chemistry letters 20081015 |
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