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845723-50-4 | 4-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-5-(phenylmethoxy)-,methyl ester
CAS No: 845723-50-4 Catalog No: AG01FN7R MDL No:MFCD24387657
Product Description
Catalog Number:
AG01FN7R
Chemical Name:
4-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-5-(phenylmethoxy)-,methyl ester
CAS Number:
845723-50-4
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
MDL Number:
MFCD24387657
IUPAC Name:
methyl 6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
InChI:
InChI=1S/C13H12N2O4/c1-18-13(17)10-11(12(16)15-8-14-10)19-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15,16)
InChI Key:
WEHZFKRCAPQCHV-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc[nH]c(=O)c1OCc1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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