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10037-20-4 | 4H-1-Benzopyran-4-one, 3-acetyl-2-methyl-
CAS No: 10037-20-4 Catalog No: AG0001QW MDL No:
Product Description
Catalog Number:
AG0001QW
Chemical Name:
4H-1-Benzopyran-4-one, 3-acetyl-2-methyl-
CAS Number:
10037-20-4
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
IUPAC Name:
3-acetyl-2-methylchromen-4-one
InChI:
InChI=1S/C12H10O3/c1-7(13)11-8(2)15-10-6-4-3-5-9(10)12(11)14/h3-6H,1-2H3
InChI Key:
LZJFGCZRSNJCJZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)oc2c(c1=O)cccc2
Properties
Complexity:
341
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:
1.8
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