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67697-50-1 | Benzoic acid, 2-[(2,5-dimethyl-1H-indol-3-yl)carbonyl]-
CAS No: 67697-50-1 Catalog No: AG005QLR MDL No:
Product Description
Catalog Number:
AG005QLR
Chemical Name:
Benzoic acid, 2-[(2,5-dimethyl-1H-indol-3-yl)carbonyl]-
CAS Number:
67697-50-1
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
IUPAC Name:
2-(2,5-dimethyl-1H-indole-3-carbonyl)benzoic acid
InChI:
InChI=1S/C18H15NO3/c1-10-7-8-15-14(9-10)16(11(2)19-15)17(20)12-5-3-4-6-13(12)18(21)22/h3-9,19H,1-2H3,(H,21,22)
InChI Key:
BVZIWFZSHHUNDO-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(c([nH]2)C)C(=O)c1ccccc1C(=O)O
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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