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1072855-45-8 | 2-(Propan-2-yloxy)pyrimidine-5-carboxylic acid
CAS No: 1072855-45-8 Catalog No: AG01F9Z4 MDL No:
Product Description
Catalog Number:
AG01F9Z4
Chemical Name:
2-(Propan-2-yloxy)pyrimidine-5-carboxylic acid
CAS Number:
1072855-45-8
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
2-propan-2-yloxypyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H10N2O3/c1-5(2)13-8-9-3-6(4-10-8)7(11)12/h3-5H,1-2H3,(H,11,12)
InChI Key:
BVFBMMXABHHKSC-UHFFFAOYSA-N
SMILES:
CC(Oc1ncc(cn1)C(=O)O)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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