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Home > Indoles and Oxindole > 889953-90-6
889953-90-6 | Benzoic acid,4-(2,3-dihydro-1H-indol-5-yl)-
CAS No: 889953-90-6 Catalog No: AG004561 MDL No:
Product Description
Catalog Number:
AG004561
Chemical Name:
Benzoic acid,4-(2,3-dihydro-1H-indol-5-yl)-
CAS Number:
889953-90-6
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
4-(2,3-dihydro-1H-indol-5-yl)benzoic acid
InChI:
InChI=1S/C15H13NO2/c17-15(18)11-3-1-10(2-4-11)12-5-6-14-13(9-12)7-8-16-14/h1-6,9,16H,7-8H2,(H,17,18)
InChI Key:
HJARSOLINSDYDO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ccc2c(c1)CCN2
Properties
Complexity:
310
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:
2
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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