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

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

CAS No.:
860449-61-2
Catalog Number:
AG01E23P
Molecular Formula:
C9H10ClNO3
Molecular Weight:
215.6336
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Product Description
Catalog Number:
AG01E23P
Chemical Name:
4-oxo-4-(pyridin-4-yl)butanoic acid hydrochloride
CAS Number:
860449-61-2
Molecular Formula:
C9H10ClNO3
Molecular Weight:
215.6336
MDL Number:
MFCD31665244
IUPAC Name:
4-oxo-4-pyridin-4-ylbutanoic acid;hydrochloride
InChI:
InChI=1S/C9H9NO3.ClH/c11-8(1-2-9(12)13)7-3-5-10-6-4-7;/h3-6H,1-2H2,(H,12,13);1H
InChI Key:
MMLFJBWYZJMZSU-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)CCC(=O)O.Cl
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.633g/mol
Monoisotopic Mass:
215.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties