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1380573-05-6 | 2-Pyrimidinecarboxylic acid, phenyl ester
CAS No: 1380573-05-6 Catalog No: AG0017WZ MDL No:
Product Description
Catalog Number:
AG0017WZ
Chemical Name:
2-Pyrimidinecarboxylic acid, phenyl ester
CAS Number:
1380573-05-6
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
IUPAC Name:
phenyl pyrimidine-2-carboxylate
InChI:
InChI=1S/C11H8N2O2/c14-11(10-12-7-4-8-13-10)15-9-5-2-1-3-6-9/h1-8H
InChI Key:
NXPVDZHEBRIIMA-UHFFFAOYSA-N
SMILES:
O=C(c1ncccn1)Oc1ccccc1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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