4-(pyrrolidine-1-carbonyl)benzoic acid

4-(pyrrolidine-1-carbonyl)benzoic acid

CAS: 150057-97-9

Formula: C12H13NO3

SMILES: OC(=O)C1=CC=C(C=C1)C(=O)N1CCCC1

IUPAC: 4-(pyrrolidine-1-carbonyl)benzoic acid

InChI: InChI=1S/C12H13NO3/c14-11(13-7-1-2-8-13)9-3-5-10(6-4-9)12(15)16/h3-6H,1-2,7-8H2,(H,15,16)

Composition: C (65.74%), H (5.98%), N (6.39%), O (21.89%)

Molar Mass: 219.24

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.089543283
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RHWLIPUKNHPPJJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.73
Topological Polar Surface Area	57.61
Polarizability	22.15
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	150057-97-9		$1,860.00-$3,850.00$1,860.00$2,750.00$3,850.00