Home Carboxys 2-Pyridinecarboxylicacid, 3-propyl-

2-Pyridinecarboxylicacid, 3-propyl-

CAS No.:
102879-48-1
Catalog Number:
AG007YHO
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
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Product Description
Catalog Number:
AG007YHO
Chemical Name:
2-Pyridinecarboxylicacid, 3-propyl-
CAS Number:
102879-48-1
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD20646417
IUPAC Name:
3-propylpyridine-2-carboxylic acid
InChI:
InChI=1S/C9H11NO2/c1-2-4-7-5-3-6-10-8(7)9(11)12/h3,5-6H,2,4H2,1H3,(H,11,12)
InChI Key:
RGBUVKDPPSGIGH-UHFFFAOYSA-N
SMILES:
CCCc1cccnc1C(=O)O
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties