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Home > Indoles and Oxindole > 889954-60-3
889954-60-3 | Benzoic acid,4-(2,3-dihydro-2,3-dioxo-1H-indol-5-yl)-
CAS No: 889954-60-3 Catalog No: AG004560 MDL No:
Product Description
Catalog Number:
AG004560
Chemical Name:
Benzoic acid,4-(2,3-dihydro-2,3-dioxo-1H-indol-5-yl)-
CAS Number:
889954-60-3
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
IUPAC Name:
4-(1-oxo-2,3-dihydroinden-4-yl)benzoic acid
InChI:
InChI=1S/C16H12O3/c17-15-9-8-13-12(2-1-3-14(13)15)10-4-6-11(7-5-10)16(18)19/h1-7H,8-9H2,(H,18,19)
InChI Key:
AJNSFJXZJZVDBV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cccc2c1CCC2=O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.269g/mol
Monoisotopic Mass:
252.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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