4-ethoxy-3-(pyrrolidin-1-yl)benzoic acid

4-ethoxy-3-(pyrrolidin-1-yl)benzoic acid

CAS: 946754-28-5

Formula: C13H17NO3

SMILES: CCOC1=C(C=C(C=C1)C(O)=O)N1CCCC1

IUPAC: 4-ethoxy-3-(pyrrolidin-1-yl)benzoic acid

InChI: InChI=1S/C13H17NO3/c1-2-17-12-6-5-10(13(15)16)9-11(12)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)

Composition: C (66.36%), H (7.28%), N (5.95%), O (20.40%)

Molar Mass: 235.283

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.120843411
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XKCYBDUVTJSEBW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.5
Topological Polar Surface Area	49.77
Polarizability	24.8
Ring Count	2
Rotatable Bond Count	4

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	946754-28-5		$267.38-$411.76$267.38$411.76