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148149-29-5 | 4-Pyrimidinecarboxylic acid, 6-methyl-, ethyl ester
CAS No: 148149-29-5 Catalog No: AG001FHF MDL No:MFCD18642539
Product Description
Catalog Number:
AG001FHF
Chemical Name:
4-Pyrimidinecarboxylic acid, 6-methyl-, ethyl ester
CAS Number:
148149-29-5
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD18642539
IUPAC Name:
ethyl 6-methylpyrimidine-4-carboxylate
InChI:
InChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-6(2)9-5-10-7/h4-5H,3H2,1-2H3
InChI Key:
FFSANUFJFMEFFK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncnc(c1)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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