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1209049-55-7 | 2-Methyl-2-(pyrazin-2-yl)propanoic acid
CAS No: 1209049-55-7 Catalog No: AG01FC8B MDL No:
Product Description
Catalog Number:
AG01FC8B
Chemical Name:
2-Methyl-2-(pyrazin-2-yl)propanoic acid
CAS Number:
1209049-55-7
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
2-methyl-2-pyrazin-2-ylpropanoic acid
InChI:
InChI=1S/C8H10N2O2/c1-8(2,7(11)12)6-5-9-3-4-10-6/h3-5H,1-2H3,(H,11,12)
InChI Key:
JMVKNEOJHGEWGW-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1nccnc1)(C)C
Properties
Complexity:
180
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:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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