Home Other Building Blocks 3-(4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)propanoic acid hydrochloride

3-(4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)propanoic acid hydrochloride

CAS No.:
1803598-48-2
Catalog Number:
AG01BCCQ
Molecular Formula:
C8H11ClN2O3
Molecular Weight:
218.6375
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Product Description
Catalog Number:
AG01BCCQ
Chemical Name:
3-(4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CAS Number:
1803598-48-2
Molecular Formula:
C8H11ClN2O3
Molecular Weight:
218.6375
MDL Number:
MFCD28714778
IUPAC Name:
3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C8H10N2O3.ClH/c1-6-4-7(11)10(5-9-6)3-2-8(12)13;/h4-5H,2-3H2,1H3,(H,12,13);1H
InChI Key:
NQOPEJBURKDSPT-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)n(cn1)CCC(=O)O.Cl
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.637g/mol
Monoisotopic Mass:
218.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties