5-methylpyrazine-2,3-dicarboxylic acid

5-methylpyrazine-2,3-dicarboxylic acid

CAS: 5521-60-8

Formula: C7H6N2O4

SMILES: CC1=CN=C(C(O)=O)C(=N1)C(O)=O

IUPAC: 5-methylpyrazine-2,3-dicarboxylic acid

InChI: InChI=1S/C7H6N2O4/c1-3-2-8-4(6(10)11)5(9-3)7(12)13/h2H,1H3,(H,10,11)(H,12,13)

Composition: C (46.16%), H (3.32%), N (15.38%), O (35.14%)

Molar Mass: 182.135

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.032756681
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	ZSVGGGCOTVOOSG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.1
Topological Polar Surface Area	100.38
Polarizability	15.23
Ring Count	1
Rotatable Bond Count	2

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