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30404-50-3 | 1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-8-METHOXY-
CAS No: 30404-50-3 Catalog No: AG00300M MDL No:
Product Description
Catalog Number:
AG00300M
Chemical Name:
1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-8-METHOXY-
CAS Number:
30404-50-3
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
8-methoxy-3,4-dihydroisochromen-1-one
InChI:
InChI=1S/C10H10O3/c1-12-8-4-2-3-7-5-6-13-10(11)9(7)8/h2-4H,5-6H2,1H3
InChI Key:
SDRNMEGWVSRIRS-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)OCC2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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