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Home > Indoles and Oxindole > 835594-99-5
835594-99-5 | Benzoic acid, 3-(5,6-dimethyl-1H-indol-2-yl)-
CAS No: 835594-99-5 Catalog No: AG004ZMV MDL No:
Product Description
Catalog Number:
AG004ZMV
Chemical Name:
Benzoic acid, 3-(5,6-dimethyl-1H-indol-2-yl)-
CAS Number:
835594-99-5
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
3-(5,6-dimethyl-1H-indol-2-yl)benzoic acid
InChI:
InChI=1S/C17H15NO2/c1-10-6-14-9-16(18-15(14)7-11(10)2)12-4-3-5-13(8-12)17(19)20/h3-9,18H,1-2H3,(H,19,20)
InChI Key:
KWDOYXXSIIZIQN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1[nH]c2c(c1)cc(c(c2)C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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