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Home > Indoles and Oxindole > 876900-18-4
876900-18-4 | 3-(1-Propyl-1H-indol-3-yl)-propionic acid
CAS No: 876900-18-4 Catalog No: AG01EY3P MDL No:
Product Description
Catalog Number:
AG01EY3P
Chemical Name:
3-(1-Propyl-1H-indol-3-yl)-propionic acid
CAS Number:
876900-18-4
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
3-(1-propylindol-3-yl)propanoic acid
InChI:
InChI=1S/C14H17NO2/c1-2-9-15-10-11(7-8-14(16)17)12-5-3-4-6-13(12)15/h3-6,10H,2,7-9H2,1H3,(H,16,17)
InChI Key:
VONMJGMSMLSSRV-UHFFFAOYSA-N
SMILES:
CCCn1cc(c2c1cccc2)CCC(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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