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832090-44-5 | Methyl 4,6-dimethylpyrimidine-5-carboxylate
CAS No: 832090-44-5 Catalog No: AG004VDD MDL No:MFCD11046670
Product Description
Catalog Number:
AG004VDD
Chemical Name:
Methyl 4,6-dimethylpyrimidine-5-carboxylate
CAS Number:
832090-44-5
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD11046670
IUPAC Name:
methyl 4,6-dimethylpyrimidine-5-carboxylate
InChI:
InChI=1S/C8H10N2O2/c1-5-7(8(11)12-3)6(2)10-4-9-5/h4H,1-3H3
InChI Key:
XBSPXEYSNDFEIA-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)ncnc1C
Properties
Complexity:
162
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:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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