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36599-14-1 | 5-(3-pyridinyl)pentanoic acid
CAS No: 36599-14-1 Catalog No: AG01DT9I MDL No:MFCD19704649
Product Description
Catalog Number:
AG01DT9I
Chemical Name:
5-(3-pyridinyl)pentanoic acid
CAS Number:
36599-14-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD19704649
IUPAC Name:
5-pyridin-3-ylpentanoic acid
InChI:
InChI=1S/C10H13NO2/c12-10(13)6-2-1-4-9-5-3-7-11-8-9/h3,5,7-8H,1-2,4,6H2,(H,12,13)
InChI Key:
LURDQLDPBFMVFX-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1cccnc1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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