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6318-43-0 | 3-(4-Pyridyl)propanoic acid
CAS No: 6318-43-0 Catalog No: AG0039DG MDL No:MFCD00084846
Product Description
Catalog Number:
AG0039DG
Chemical Name:
3-(4-Pyridyl)propanoic acid
CAS Number:
6318-43-0
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD00084846
IUPAC Name:
3-pyridin-4-ylpropanoic acid
InChI:
InChI=1S/C8H9NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h3-6H,1-2H2,(H,10,11)
InChI Key:
WSXGQYDHJZKQQB-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccncc1
NSC Number:
31601
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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