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Home > Indoles and Oxindole > 938146-99-7
938146-99-7 | 4-(2,3-dihydro-1H-indol-1-ylmethyl)benzoic acid
CAS No: 938146-99-7 Catalog No: AG00JI6B MDL No:MFCD09705771
Product Description
Catalog Number:
AG00JI6B
Chemical Name:
4-(2,3-dihydro-1H-indol-1-ylmethyl)benzoic acid
CAS Number:
938146-99-7
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
MDL Number:
MFCD09705771
IUPAC Name:
4-(2,3-dihydroindol-1-ylmethyl)benzoic acid
InChI:
InChI=1S/C16H15NO2/c18-16(19)14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-8H,9-11H2,(H,18,19)
InChI Key:
NNHJFDQPSDKLHK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CN1CCc2c1cccc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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