Home Sulfos 3-(pyridin-2-ylmethanesulfonyl)propanoic acid hydrochloride

3-(pyridin-2-ylmethanesulfonyl)propanoic acid hydrochloride

CAS No.:
1171061-94-1
Catalog Number:
AG019N7D
Molecular Formula:
C9H12ClNO4S
Molecular Weight:
265.7139
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Product Description
Catalog Number:
AG019N7D
Chemical Name:
3-(pyridin-2-ylmethanesulfonyl)propanoic acid hydrochloride
CAS Number:
1171061-94-1
Molecular Formula:
C9H12ClNO4S
Molecular Weight:
265.7139
MDL Number:
MFCD11505484
IUPAC Name:
3-(pyridin-2-ylmethylsulfonyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C9H11NO4S.ClH/c11-9(12)4-6-15(13,14)7-8-3-1-2-5-10-8;/h1-3,5H,4,6-7H2,(H,11,12);1H
InChI Key:
QDYBHCHDGKWOGI-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)(=O)Cc1ccccn1.Cl
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.018g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
265.708g/mol
Monoisotopic Mass:
265.018g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties