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442562-80-3 | 3-(1H-Indol-4-yl)benzoic acid
CAS No: 442562-80-3 Catalog No: AG003HZE MDL No:MFCD13177530
Product Description
Catalog Number:
AG003HZE
Chemical Name:
3-(1H-Indol-4-yl)benzoic acid
CAS Number:
442562-80-3
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
MDL Number:
MFCD13177530
IUPAC Name:
3-(1H-indol-4-yl)benzoic acid
InChI:
InChI=1S/C15H11NO2/c17-15(18)11-4-1-3-10(9-11)12-5-2-6-14-13(12)7-8-16-14/h1-9,16H,(H,17,18)
InChI Key:
JIDDTZCMXFNWAB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cccc2c1cc[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:
3.2
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