Home Other Building Blocks 3-(pyridin-4-yl)butanoic acid hydrochloride

3-(pyridin-4-yl)butanoic acid hydrochloride

CAS No.:
2044722-48-5
Catalog Number:
AG01BVF2
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
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Product Description
Catalog Number:
AG01BVF2
Chemical Name:
3-(pyridin-4-yl)butanoic acid hydrochloride
CAS Number:
2044722-48-5
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
MDL Number:
MFCD30476376
IUPAC Name:
3-pyridin-4-ylbutanoic acid;hydrochloride
InChI:
InChI=1S/C9H11NO2.ClH/c1-7(6-9(11)12)8-2-4-10-5-3-8;/h2-5,7H,6H2,1H3,(H,11,12);1H
InChI Key:
ZTDBIXHLRQDQES-UHFFFAOYSA-N
SMILES:
CC(c1ccncc1)CC(=O)O.Cl
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.65g/mol
Monoisotopic Mass:
201.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties