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Home > Indoles and Oxindole > 1171934-74-9
1171934-74-9 | 3-(3-Methyl-2-phenyl-indol-1-yl)-propionic acid
CAS No: 1171934-74-9 Catalog No: AG01F9PZ MDL No:MFCD12827600
Product Description
Catalog Number:
AG01F9PZ
Chemical Name:
3-(3-Methyl-2-phenyl-indol-1-yl)-propionic acid
CAS Number:
1171934-74-9
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
MDL Number:
MFCD12827600
IUPAC Name:
3-(3-methyl-2-phenylindol-1-yl)propanoic acid
InChI:
InChI=1S/C18H17NO2/c1-13-15-9-5-6-10-16(15)19(12-11-17(20)21)18(13)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,21)
InChI Key:
FCWUAMLIVAJRCN-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1c2ccccc2c(c1c1ccccc1)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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