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1402232-91-0 | 2-Cyclobutoxypyrimidine-5-carboxylic acid
CAS No: 1402232-91-0 Catalog No: AG01FBMG MDL No:
Product Description
Catalog Number:
AG01FBMG
Chemical Name:
2-Cyclobutoxypyrimidine-5-carboxylic acid
CAS Number:
1402232-91-0
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
IUPAC Name:
2-cyclobutyloxypyrimidine-5-carboxylic acid
InChI:
InChI=1S/C9H10N2O3/c12-8(13)6-4-10-9(11-5-6)14-7-2-1-3-7/h4-5,7H,1-3H2,(H,12,13)
InChI Key:
UNSUYWMSJYCORM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1)OC1CCC1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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