3-methoxypyrazine-2-carboxylic acid

3-methoxypyrazine-2-carboxylic acid

CAS: 40155-47-3

Formula: C6H6N2O3

SMILES: COC1=C(N=CC=N1)C(O)=O

IUPAC: 3-methoxypyrazine-2-carboxylic acid

InChI: InChI=1S/C6H6N2O3/c1-11-5-4(6(9)10)7-2-3-8-5/h2-3H,1H3,(H,9,10)

Composition: C (46.76%), H (3.92%), N (18.18%), O (31.14%)

Molar Mass: 154.125

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	154.037842061
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HIQNMBCMDBUWJV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.41
Topological Polar Surface Area	72.31
Polarizability	13.54
Ring Count	1
Rotatable Bond Count	2

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