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

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

CAS No.:
176446-91-6
Catalog Number:
AG01BERD
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
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Product Description
Catalog Number:
AG01BERD
Chemical Name:
4-(pyridin-3-yl)butanoic acid hydrochloride
CAS Number:
176446-91-6
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
MDL Number:
MFCD18802935
IUPAC Name:
4-pyridin-3-ylbutanoic acid;hydrochloride
InChI:
InChI=1S/C9H11NO2.ClH/c11-9(12)5-1-3-8-4-2-6-10-7-8;/h2,4,6-7H,1,3,5H2,(H,11,12);1H
InChI Key:
BIAUXLCJVRFGCK-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1cccnc1.Cl
Properties
Complexity:
148  
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:
4  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties