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72990-98-8 | Benzoic acid, 2-(2,3-dihydro-1H-indol-1-yl)-
CAS No: 72990-98-8 Catalog No: AG005N44 MDL No:
Product Description
Catalog Number:
AG005N44
Chemical Name:
Benzoic acid, 2-(2,3-dihydro-1H-indol-1-yl)-
CAS Number:
72990-98-8
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
2-(2,3-dihydroindol-1-yl)benzoic acid
InChI:
InChI=1S/C15H13NO2/c17-15(18)12-6-2-4-8-14(12)16-10-9-11-5-1-3-7-13(11)16/h1-8H,9-10H2,(H,17,18)
InChI Key:
CQRWVZZXBUOVEA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N1CCc2c1cccc2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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