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Home > Indoles and Oxindole > 886363-16-2
886363-16-2 | 3-(1H-Indol-5-yl)benzoic acid
CAS No: 886363-16-2 Catalog No: AG003HZF MDL No:MFCD03839964
Product Description
Catalog Number:
AG003HZF
Chemical Name:
3-(1H-Indol-5-yl)benzoic acid
CAS Number:
886363-16-2
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
MDL Number:
MFCD03839964
IUPAC Name:
3-(1H-indol-5-yl)benzoic acid
InChI:
InChI=1S/C15H11NO2/c17-15(18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-9,16H,(H,17,18)
InChI Key:
VKHHKQSCGXEKEE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc2c(c1)cc[nH]2
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:
2
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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