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1439899-47-4 | 2-(Oxan-4-ylmethoxy)pyrimidine-5-carboxylic acid
CAS No: 1439899-47-4 Catalog No: AG01F9JU MDL No:
Product Description
Catalog Number:
AG01F9JU
Chemical Name:
2-(Oxan-4-ylmethoxy)pyrimidine-5-carboxylic acid
CAS Number:
1439899-47-4
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
IUPAC Name:
2-(oxan-4-ylmethoxy)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C11H14N2O4/c14-10(15)9-5-12-11(13-6-9)17-7-8-1-3-16-4-2-8/h5-6,8H,1-4,7H2,(H,14,15)
InChI Key:
ITUNWEHQSAIIDG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1)OCC1CCOCC1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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