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Home > Indoles and Oxindole > 132725-40-7
132725-40-7 | 2-[(1,2-dimethyl-1H-indol-3-yl)methyl]benzoic acid
CAS No: 132725-40-7 Catalog No: AG01F8ZG MDL No:
Product Description
Catalog Number:
AG01F8ZG
Chemical Name:
2-[(1,2-dimethyl-1H-indol-3-yl)methyl]benzoic acid
CAS Number:
132725-40-7
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
2-[(1,2-dimethylindol-3-yl)methyl]benzoic acid
InChI:
InChI=1S/C18H17NO2/c1-12-16(15-9-5-6-10-17(15)19(12)2)11-13-7-3-4-8-14(13)18(20)21/h3-10H,11H2,1-2H3,(H,20,21)
InChI Key:
CUVDMHZCDSMEDW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Cc1c2ccccc2n(c1C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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