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Home > Indoles and Oxindole > 130373-81-8
130373-81-8 | Benzoic acid, 3-(1,3-dihydro-2H-isoindol-2-yl)-
CAS No: 130373-81-8 Catalog No: AG000UC4 MDL No:MFCD00755025
Product Description
Catalog Number:
AG000UC4
Chemical Name:
Benzoic acid, 3-(1,3-dihydro-2H-isoindol-2-yl)-
CAS Number:
130373-81-8
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
MDL Number:
MFCD00755025
IUPAC Name:
3-(1,3-dihydroisoindol-2-yl)benzoic acid
InChI:
InChI=1S/C15H13NO2/c17-15(18)11-6-3-7-14(8-11)16-9-12-4-1-2-5-13(12)10-16/h1-8H,9-10H2,(H,17,18)
InChI Key:
OPNQQNYLEULRRV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)N1Cc2c(C1)cccc2
Properties
Complexity:
304
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:
2.6
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