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41110-28-5

41110-28-5 | 3-Methylpyrazine-2-carboxylic acid

CAS No: 41110-28-5 Catalog No: AG0033RH MDL No:MFCD08705765

Product Description

Catalog Number:
AG0033RH
Chemical Name:
3-Methylpyrazine-2-carboxylic acid
CAS Number:
41110-28-5
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD08705765
IUPAC Name:
3-methylpyrazine-2-carboxylic acid
InChI:
InChI=1S/C6H6N2O2/c1-4-5(6(9)10)8-3-2-7-4/h2-3H,1H3,(H,9,10)
InChI Key:
DEDJQZNLAXYJBT-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccnc1C

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

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