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933759-45-6 | 2-(Dimethylamino)pyrimidine-4-carboxylic acid
CAS No: 933759-45-6 Catalog No: AG006G7D MDL No:MFCD09835397
Product Description
Catalog Number:
AG006G7D
Chemical Name:
2-(Dimethylamino)pyrimidine-4-carboxylic acid
CAS Number:
933759-45-6
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
MDL Number:
MFCD09835397
IUPAC Name:
2-(dimethylamino)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C7H9N3O2/c1-10(2)7-8-4-3-5(9-7)6(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
WVCYPLUPYMEHMY-UHFFFAOYSA-N
SMILES:
CN(c1nccc(n1)C(=O)O)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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