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Home > Indoles and Oxindole > 6642-47-3
6642-47-3 | 2-[(1-methyl-1H-indol-3-yl)methyl]benzoic acid
CAS No: 6642-47-3 Catalog No: AG01EWU3 MDL No:
Product Description
Catalog Number:
AG01EWU3
Chemical Name:
2-[(1-methyl-1H-indol-3-yl)methyl]benzoic acid
CAS Number:
6642-47-3
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
2-[(1-methylindol-3-yl)methyl]benzoic acid
InChI:
InChI=1S/C17H15NO2/c1-18-11-13(14-7-4-5-9-16(14)18)10-12-6-2-3-8-15(12)17(19)20/h2-9,11H,10H2,1H3,(H,19,20)
InChI Key:
NDRYPZXIXNTUEZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Cc1cn(c2c1cccc2)C
NSC Number:
47422
Properties
Complexity:
357
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:
1
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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