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129578-99-0 | 2-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-
CAS No: 129578-99-0 Catalog No: AG000Z8R MDL No:
Product Description
Catalog Number:
AG000Z8R
Chemical Name:
2-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-
CAS Number:
129578-99-0
Molecular Formula:
C5H8N2O2
Molecular Weight:
128.1292
IUPAC Name:
1,4,5,6-tetrahydropyrimidine-2-carboxylic acid
InChI:
InChI=1S/C5H8N2O2/c8-5(9)4-6-2-1-3-7-4/h1-3H2,(H,6,7)(H,8,9)
InChI Key:
GBQXFUIEIKDGHL-UHFFFAOYSA-N
SMILES:
OC(=O)C1=NCCCN1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.131g/mol
Monoisotopic Mass:
128.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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