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13028-94-9 | Benzoic acid, 4-(1-oxo-2-phenyl-1H-inden-3-yl)-
CAS No: 13028-94-9 Catalog No: AG000U7C MDL No:
Product Description
Catalog Number:
AG000U7C
Chemical Name:
Benzoic acid, 4-(1-oxo-2-phenyl-1H-inden-3-yl)-
CAS Number:
13028-94-9
Molecular Formula:
C22H14O3
Molecular Weight:
326.3448
IUPAC Name:
4-(3-oxo-2-phenylinden-1-yl)benzoic acid
InChI:
InChI=1S/C22H14O3/c23-21-18-9-5-4-8-17(18)19(20(21)14-6-2-1-3-7-14)15-10-12-16(13-11-15)22(24)25/h1-13H,(H,24,25)
InChI Key:
ZFTMOOMYNVGJLY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1=C(c2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.094g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.351g/mol
Monoisotopic Mass:
326.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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