1-(quinoxalin-2-yl)butane-1,2,3,4-tetrol

1-(quinoxalin-2-yl)butane-1,2,3,4-tetrol

CAS: 80840-09-1

Formula: C12H14N2O4

SMILES: OCC(O)C(O)C(O)C1=NC2=CC=CC=C2N=C1

IUPAC: 1-(quinoxalin-2-yl)butane-1,2,3,4-tetrol

InChI: InChI=1/C12H14N2O4/c15-6-10(16)12(18)11(17)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10-12,15-18H,6H2

Composition: C (57.59%), H (5.64%), N (11.19%), O (25.57%)

Molar Mass: 250.254

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	250.095356939
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
InChIKey	JNOHSLKLTQNYAD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.71
Topological Polar Surface Area	106.7
Polarizability	25.91
Ring Count	2
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	80840-09-1		$51.35-$86.31$51.35$63.37$86.31