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1402232-69-2 | 6-Ethoxypyrimidine-4-carboxylic acid
CAS No: 1402232-69-2 Catalog No: AG01FDJI MDL No:
Product Description
Catalog Number:
AG01FDJI
Chemical Name:
6-Ethoxypyrimidine-4-carboxylic acid
CAS Number:
1402232-69-2
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
IUPAC Name:
6-ethoxypyrimidine-4-carboxylic acid
InChI:
InChI=1S/C7H8N2O3/c1-2-12-6-3-5(7(10)11)8-4-9-6/h3-4H,2H2,1H3,(H,10,11)
InChI Key:
GGCLBSYJNFTXCH-UHFFFAOYSA-N
SMILES:
CCOc1cc(ncn1)C(=O)O
Properties
Complexity:
163
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:
0.7
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