2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid

2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid

CAS: 879065-06-2

Formula: C13H15NO4

SMILES: OC(=O)C1=C(OCCN2CCCC2=O)C=CC=C1

IUPAC: 2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic acid

InChI: InChI=1S/C13H15NO4/c15-12-6-3-7-14(12)8-9-18-11-5-2-1-4-10(11)13(16)17/h1-2,4-5H,3,6-9H2,(H,16,17)

Composition: C (62.64%), H (6.07%), N (5.62%), O (25.67%)

Molar Mass: 249.266

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.100107967
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QQCXSNCLVWSWPL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.96
Topological Polar Surface Area	66.84
Polarizability	24.91
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	879065-06-2		$404.27$404.27