Name: Name:4-(3,3-dimethylpyrrolidin-1-yl)benzoic acid
Brand: Angene
SKU: AG01E71B
Rating: 90 (10 reviews)

4-(3,3-dimethylpyrrolidin-1-yl)benzoic acid

CAS No.:

406234-21-7

Catalog Number:

AG01E71B

Molecular Formula:

C13H17NO2

Molecular Weight:

219.2796

Catalog Number:

AG01E71B

Chemical Name:

4-(3,3-dimethylpyrrolidin-1-yl)benzoic acid

CAS Number:

406234-21-7

Molecular Formula:

C13H17NO2

Molecular Weight:

219.2796

MDL Number:

MFCD23395102

IUPAC Name:

4-(3,3-dimethylpyrrolidin-1-yl)benzoic acid

InChI:

InChI=1S/C13H17NO2/c1-13(2)7-8-14(9-13)11-5-3-10(4-6-11)12(15)16/h3-6H,7-9H2,1-2H3,(H,15,16)

InChI Key:

KFKIEJWFAOYELQ-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)N1CCC(C1)(C)C

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.284g/mol

Monoisotopic Mass:

219.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9