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136326-10-8 | 5-Pyrimidinecarboxylic acid, 4-ethoxy-2-phenyl-
CAS No: 136326-10-8 Catalog No: AG0011N5 MDL No:MFCD06797376
Product Description
Catalog Number:
AG0011N5
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-ethoxy-2-phenyl-
CAS Number:
136326-10-8
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD06797376
IUPAC Name:
4-ethoxy-2-phenylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C13H12N2O3/c1-2-18-12-10(13(16)17)8-14-11(15-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,17)
InChI Key:
KDKPLQDANXTNQX-UHFFFAOYSA-N
SMILES:
CCOc1nc(ncc1C(=O)O)c1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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