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1242458-51-0 | 2-Ethoxypyrimidine-5-carboxylic acid
CAS No: 1242458-51-0 Catalog No: AG01FDFY MDL No:
Product Description
Catalog Number:
AG01FDFY
Chemical Name:
2-Ethoxypyrimidine-5-carboxylic acid
CAS Number:
1242458-51-0
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
IUPAC Name:
2-ethoxypyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H8N2O3/c1-2-12-7-8-3-5(4-9-7)6(10)11/h3-4H,2H2,1H3,(H,10,11)
InChI Key:
FQASPYCVGVQZSQ-UHFFFAOYSA-N
SMILES:
CCOc1ncc(cn1)C(=O)O
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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