4-methoxy-3-[(2S)-pyrrolidin-2-yl]benzoic acid

4-methoxy-3-[(2S)-pyrrolidin-2-yl]benzoic acid

CAS: 1391419-55-8

Formula: C12H15NO3

SMILES: COC1=CC=C(C=C1[C@@H]1CCCN1)C(O)=O

IUPAC: 4-methoxy-3-[(2S)-pyrrolidin-2-yl]benzoic acid

InChI: InChI=1S/C12H15NO3/c1-16-11-5-4-8(12(14)15)7-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3,(H,14,15)/t10-/m0/s1

Composition: C (65.14%), H (6.83%), N (6.33%), O (21.69%)

Molar Mass: 221.256

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	221.105193347
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AAEBMJBEJVNKKB-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.24
Topological Polar Surface Area	58.56
Polarizability	23.34
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1391419-55-8		$856.22$856.22