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147590-72-5 | 4H-1-Benzopyran-4-one, 3-methoxy-2-methyl-
CAS No: 147590-72-5 Catalog No: AG001EZR MDL No:
Product Description
Catalog Number:
AG001EZR
Chemical Name:
4H-1-Benzopyran-4-one, 3-methoxy-2-methyl-
CAS Number:
147590-72-5
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
3-methoxy-2-methylchromen-4-one
InChI:
InChI=1S/C11H10O3/c1-7-11(13-2)10(12)8-5-3-4-6-9(8)14-7/h3-6H,1-2H3
InChI Key:
BQUVTHNLTCBQBE-UHFFFAOYSA-N
SMILES:
COc1c(C)oc2c(c1=O)cccc2
Properties
Complexity:
280
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:
2.1
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