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1402232-64-7 | 2-(Oxan-4-yloxy)pyrimidine-5-carboxylicacid
CAS No: 1402232-64-7 Catalog No: AG01FAYQ MDL No:
Product Description
Catalog Number:
AG01FAYQ
Chemical Name:
2-(Oxan-4-yloxy)pyrimidine-5-carboxylicacid
CAS Number:
1402232-64-7
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
IUPAC Name:
2-(oxan-4-yloxy)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C10H12N2O4/c13-9(14)7-5-11-10(12-6-7)16-8-1-3-15-4-2-8/h5-6,8H,1-4H2,(H,13,14)
InChI Key:
CKSNUUHETRUAOR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1)OC1CCOCC1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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