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26239-18-9 | 4H-1-Benzopyran-4-one, 3-acetyl-5-hydroxy-2-methyl-
CAS No: 26239-18-9 Catalog No: AG002SEV MDL No:
Product Description
Catalog Number:
AG002SEV
Chemical Name:
4H-1-Benzopyran-4-one, 3-acetyl-5-hydroxy-2-methyl-
CAS Number:
26239-18-9
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
3-acetyl-5-hydroxy-2-methylchromen-4-one
InChI:
InChI=1S/C12H10O4/c1-6(13)10-7(2)16-9-5-3-4-8(14)11(9)12(10)15/h3-5,14H,1-2H3
InChI Key:
TYGWPKPHYIKRRA-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)oc2c(c1=O)c(O)ccc2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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