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6-(pyrrolidin-1-yl)pyrimidine-4-carboxylic acid hydrochloride

CAS No.:
1803608-88-9
Catalog Number:
AG01BC18
Molecular Formula:
C9H12ClN3O2
Molecular Weight:
229.6635
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Product Description
Catalog Number:
AG01BC18
Chemical Name:
6-(pyrrolidin-1-yl)pyrimidine-4-carboxylic acid hydrochloride
CAS Number:
1803608-88-9
Molecular Formula:
C9H12ClN3O2
Molecular Weight:
229.6635
MDL Number:
MFCD28714672
IUPAC Name:
6-pyrrolidin-1-ylpyrimidine-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H11N3O2.ClH/c13-9(14)7-5-8(11-6-10-7)12-3-1-2-4-12;/h5-6H,1-4H2,(H,13,14);1H
InChI Key:
VUXGPQJEZQOOBE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncnc(c1)N1CCCC1.Cl
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.664g/mol
Monoisotopic Mass:
229.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties