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823795-18-2 | 5-Pyrimidinecarboxylic acid, 4-amino-2-(2-hydroxyphenyl)-, ethyl ester
CAS No: 823795-18-2 Catalog No: AG005D6B MDL No:
Product Description
Catalog Number:
AG005D6B
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-amino-2-(2-hydroxyphenyl)-, ethyl ester
CAS Number:
823795-18-2
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
IUPAC Name:
ethyl 4-amino-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
InChI:
InChI=1S/C13H13N3O3/c1-2-19-13(18)9-7-15-12(16-11(9)14)8-5-3-4-6-10(8)17/h3-7,17H,2H2,1H3,(H2,14,15,16)
InChI Key:
BZFCOZGGXOFWNE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1N)c1ccccc1O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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