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14221-75-1 | 4H-1-Benzopyran-7-carboxylic acid, 4-oxo-2-phenyl-
CAS No: 14221-75-1 Catalog No: AG001HZ3 MDL No:
Product Description
Catalog Number:
AG001HZ3
Chemical Name:
4H-1-Benzopyran-7-carboxylic acid, 4-oxo-2-phenyl-
CAS Number:
14221-75-1
Molecular Formula:
C16H10O4
Molecular Weight:
266.2482
IUPAC Name:
4-oxo-2-phenylchromene-7-carboxylic acid
InChI:
InChI=1S/C16H10O4/c17-13-9-14(10-4-2-1-3-5-10)20-15-8-11(16(18)19)6-7-12(13)15/h1-9H,(H,18,19)
InChI Key:
OHCNSTOLJWDQMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)oc(cc2=O)c1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.252g/mol
Monoisotopic Mass:
266.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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