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20280-93-7 | 2H-1-Benzopyran-2-one, 3-acetyl-7-methyl-
CAS No: 20280-93-7 Catalog No: AG0028FG MDL No:MFCD01731853
Product Description
Catalog Number:
AG0028FG
Chemical Name:
2H-1-Benzopyran-2-one, 3-acetyl-7-methyl-
CAS Number:
20280-93-7
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
MDL Number:
MFCD01731853
IUPAC Name:
3-acetyl-7-methylchromen-2-one
InChI:
InChI=1S/C12H10O3/c1-7-3-4-9-6-10(8(2)13)12(14)15-11(9)5-7/h3-6H,1-2H3
InChI Key:
UBRNWFAJPPGJGV-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)oc(=O)c(c2)C(=O)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.209g/mol
Monoisotopic Mass:
202.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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