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Home > Indoles and Oxindole > 95504-39-5
95504-39-5 | 1H-Indole-3-pentanoic acid, 1-(3-pyridinyl)-
CAS No: 95504-39-5 Catalog No: AG006DD3 MDL No:
Product Description
Catalog Number:
AG006DD3
Chemical Name:
1H-Indole-3-pentanoic acid, 1-(3-pyridinyl)-
CAS Number:
95504-39-5
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
IUPAC Name:
5-(1-pyridin-3-ylindol-3-yl)pentanoic acid
InChI:
InChI=1S/C18H18N2O2/c21-18(22)10-4-1-6-14-13-20(15-7-5-11-19-12-15)17-9-3-2-8-16(14)17/h2-3,5,7-9,11-13H,1,4,6,10H2,(H,21,22)
InChI Key:
UETRKVDAHIACJW-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1cn(c2c1cccc2)c1cccnc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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