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1022-78-2 | 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-
CAS No: 1022-78-2 Catalog No: AG0006W0 MDL No:
Product Description
Catalog Number:
AG0006W0
Chemical Name:
4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-
CAS Number:
1022-78-2
Molecular Formula:
C12H10O5
Molecular Weight:
234.2048
IUPAC Name:
3-acetyl-5,7-dihydroxy-2-methylchromen-4-one
InChI:
InChI=1S/C12H10O5/c1-5(13)10-6(2)17-9-4-7(14)3-8(15)11(9)12(10)16/h3-4,14-15H,1-2H3
InChI Key:
JPJLOHCYWXTCCN-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)C(=O)C)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.207g/mol
Monoisotopic Mass:
234.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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