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101279-20-3 | 2H-1-Benzopyran-2-one, 3-benzoyl-4,7-dihydroxy-
CAS No: 101279-20-3 Catalog No: AG00044B MDL No:
Product Description
Catalog Number:
AG00044B
Chemical Name:
2H-1-Benzopyran-2-one, 3-benzoyl-4,7-dihydroxy-
CAS Number:
101279-20-3
Molecular Formula:
C16H10O5
Molecular Weight:
282.2476
IUPAC Name:
3-benzoyl-4,7-dihydroxychromen-2-one
InChI:
InChI=1S/C16H10O5/c17-10-6-7-11-12(8-10)21-16(20)13(15(11)19)14(18)9-4-2-1-3-5-9/h1-8,17,19H
InChI Key:
GEIBHVUTBAFGSQ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=O)c(c2O)C(=O)c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.053g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.251g/mol
Monoisotopic Mass:
282.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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