3,5-dimethylpyrazine-2-carboxylic acid

3,5-dimethylpyrazine-2-carboxylic acid

CAS: 946493-27-2

Formula: C7H8N2O2

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

IUPAC: 3,5-dimethylpyrazine-2-carboxylic acid

InChI: InChI=1S/C7H8N2O2/c1-4-3-8-6(7(10)11)5(2)9-4/h3H,1-2H3,(H,10,11)

Composition: C (55.26%), H (5.30%), N (18.41%), O (21.03%)

Molar Mass: 152.153

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	152.058577506
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QBTHZBYYZUTCNC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.81
Topological Polar Surface Area	63.08
Polarizability	14.47
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	946493-27-2		$124.84-$959.62$124.84$959.62