3-(3-methoxyquinoxalin-2-yl)propanoic acid

3-(3-methoxyquinoxalin-2-yl)propanoic acid

CAS: 727682-53-3

Formula: C12H12N2O3

SMILES: COC1=C(CCC(O)=O)N=C2C=CC=CC2=N1

IUPAC: 3-(3-methoxyquinoxalin-2-yl)propanoic acid

InChI: InChI=1S/C12H12N2O3/c1-17-12-10(6-7-11(15)16)13-8-4-2-3-5-9(8)14-12/h2-5H,6-7H2,1H3,(H,15,16)

Composition: C (62.06%), H (5.21%), N (12.06%), O (20.67%)

Molar Mass: 232.239

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	232.084792254
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CTIQZKAWWUSNIN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.71
Topological Polar Surface Area	72.31
Polarizability	24.61
Ring Count	2
Rotatable Bond Count	4

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