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160532-38-7 | 2-Pyrazinecarboxylic acid, 2,5-dihydro-5,6-dimethyl-
CAS No: 160532-38-7 Catalog No: AG001S00 MDL No:
Product Description
Catalog Number:
AG001S00
Chemical Name:
2-Pyrazinecarboxylic acid, 2,5-dihydro-5,6-dimethyl-
CAS Number:
160532-38-7
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
IUPAC Name:
5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h3-4,6H,1-2H3,(H,10,11)
InChI Key:
HPGQHSJSJWLFCV-UHFFFAOYSA-N
SMILES:
CC1=NC(C=NC1C)C(=O)O
Properties
Complexity:
233
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:
1
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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