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141071-79-6 | 1H-Indole-3-propanoic acid, 1-(phenylmethyl)-
CAS No: 141071-79-6 Catalog No: AG001FTW MDL No:
Product Description
Catalog Number:
AG001FTW
Chemical Name:
1H-Indole-3-propanoic acid, 1-(phenylmethyl)-
CAS Number:
141071-79-6
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
3-(1-benzylindol-3-yl)propanoic acid
InChI:
InChI=1S/C18H17NO2/c20-18(21)11-10-15-13-19(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-9,13H,10-12H2,(H,20,21)
InChI Key:
QTUJYJWSZIVMMF-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cn(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
351
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:
5
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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