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1234504-26-7

1234504-26-7 | 2-Pyrazinecarboxylic acid, 5,6-dimethyl-, methyl ester

CAS No: 1234504-26-7 Catalog No: AG000KKV MDL No:MFCD23135720

Product Description

Catalog Number:
AG000KKV
Chemical Name:
2-Pyrazinecarboxylic acid, 5,6-dimethyl-, methyl ester
CAS Number:
1234504-26-7
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD23135720
IUPAC Name:
methyl 5,6-dimethylpyrazine-2-carboxylate
InChI:
InChI=1S/C8H10N2O2/c1-5-6(2)10-7(4-9-5)8(11)12-3/h4H,1-3H3
InChI Key:
YZSURIIGEIGSDJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(n1)C)C

Properties

Complexity:
172  
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:
0.8  

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