Home Other Building Blocks 2H-1-Benzopyran-2-one, 4-methoxy-

2H-1-Benzopyran-2-one, 4-methoxy-

CAS No.:
20280-81-3
Catalog Number:
AG0028FI
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
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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
Properties