2,3-diethylquinoxaline-6-carboxylic acid

2,3-diethylquinoxaline-6-carboxylic acid

CAS: 694506-87-1

Formula: C13H14N2O2

SMILES: CCC1=C(CC)N=C2C=C(C=CC2=N1)C(O)=O

IUPAC: 2,3-diethylquinoxaline-6-carboxylic acid

InChI: InChI=1S/C13H14N2O2/c1-3-9-10(4-2)15-12-7-8(13(16)17)5-6-11(12)14-9/h5-7H,3-4H2,1-2H3,(H,16,17)

Composition: C (67.81%), H (6.13%), N (12.17%), O (13.90%)

Molar Mass: 230.267

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	230.105527699
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PPDTZYUTKIMTJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.14
Topological Polar Surface Area	63.08
Polarizability	25.59
Ring Count	2
Rotatable Bond Count	3

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