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160532-45-6 | 2-Pyrazinecarboxylic acid, 1,4-dihydro-5,6-dimethyl-
CAS No: 160532-45-6 Catalog No: AG001RZW MDL No:
Product Description
Catalog Number:
AG001RZW
Chemical Name:
2-Pyrazinecarboxylic acid, 1,4-dihydro-5,6-dimethyl-
CAS Number:
160532-45-6
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
IUPAC Name:
5,6-dimethyl-1,4-dihydropyrazine-2-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h3,8-9H,1-2H3,(H,10,11)
InChI Key:
SHVFCAAMUFPJRU-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c(c([nH]1)C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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