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Home > Indoles and Oxindole > 88561-06-2
88561-06-2 | Benzoic acid, 4-(1-butyl-1H-indol-2-yl)-
CAS No: 88561-06-2 Catalog No: AG004BZI MDL No:
Product Description
Catalog Number:
AG004BZI
Chemical Name:
Benzoic acid, 4-(1-butyl-1H-indol-2-yl)-
CAS Number:
88561-06-2
Molecular Formula:
C19H19NO2
Molecular Weight:
293.3597
IUPAC Name:
4-(1-butylindol-2-yl)benzoic acid
InChI:
InChI=1S/C19H19NO2/c1-2-3-12-20-17-7-5-4-6-16(17)13-18(20)14-8-10-15(11-9-14)19(21)22/h4-11,13H,2-3,12H2,1H3,(H,21,22)
InChI Key:
OQVVGVWRKAUAOF-UHFFFAOYSA-N
SMILES:
CCCCn1c(cc2c1cccc2)c1ccc(cc1)C(=O)O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.366g/mol
Monoisotopic Mass:
293.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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