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141524-32-5 | 2H-1-Benzopyran-2-one, 3-acetyl-3,4-dihydro-4-methyl-
CAS No: 141524-32-5 Catalog No: AG001GK7 MDL No:
Product Description
Catalog Number:
AG001GK7
Chemical Name:
2H-1-Benzopyran-2-one, 3-acetyl-3,4-dihydro-4-methyl-
CAS Number:
141524-32-5
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
3-acetyl-4-methyl-3,4-dihydrochromen-2-one
InChI:
InChI=1S/C12H12O3/c1-7-9-5-3-4-6-10(9)15-12(14)11(7)8(2)13/h3-7,11H,1-2H3
InChI Key:
LJSIRRBIZHVQNM-UHFFFAOYSA-N
SMILES:
CC(=O)C1C(=O)Oc2c(C1C)cccc2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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