Home Carboxys 5-benzylpyridine-2-carboxylic acid hydrochloride

5-benzylpyridine-2-carboxylic acid hydrochloride

CAS No.:
1955547-86-0
Catalog Number:
AG01B4TC
Molecular Formula:
C13H12ClNO2
Molecular Weight:
249.6929
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Product Description
Catalog Number:
AG01B4TC
Chemical Name:
5-benzylpyridine-2-carboxylic acid hydrochloride
CAS Number:
1955547-86-0
Molecular Formula:
C13H12ClNO2
Molecular Weight:
249.6929
MDL Number:
MFCD29991789
IUPAC Name:
5-benzylpyridine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C13H11NO2.ClH/c15-13(16)12-7-6-11(9-14-12)8-10-4-2-1-3-5-10;/h1-7,9H,8H2,(H,15,16);1H
InChI Key:
YCXJJAHUGVLBFR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cn1)Cc1ccccc1.Cl
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.056g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.694g/mol
Monoisotopic Mass:
249.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties