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Home > Indoles and Oxindole > 1207028-05-4
1207028-05-4 | 3-(1H-Indol-1-yl)benzoic acid
CAS No: 1207028-05-4 Catalog No: AG01AQQ6 MDL No:MFCD16640726
Product Description
Catalog Number:
AG01AQQ6
Chemical Name:
3-(1H-Indol-1-yl)benzoic acid
CAS Number:
1207028-05-4
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
MDL Number:
MFCD16640726
IUPAC Name:
3-indol-1-ylbenzoic acid
InChI:
InChI=1S/C15H11NO2/c17-15(18)12-5-3-6-13(10-12)16-9-8-11-4-1-2-7-14(11)16/h1-10H,(H,17,18)
InChI Key:
ZJFUTRBRAQGFBP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)n1ccc2c1cccc2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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