Name: Name:4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzoic acid
Brand: Angene
SKU: AG01EKIA
Rating: 90 (10 reviews)

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzoic acid

CAS No.:

1713773-59-1

Catalog Number:

AG01EKIA

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

Catalog Number:

AG01EKIA

Chemical Name:

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzoic acid

CAS Number:

1713773-59-1

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

MDL Number:

MFCD26260249

IUPAC Name:

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzoic acid

InChI:

InChI=1S/C13H17NO3/c1-9(15)11-6-7-14(8-11)12-4-2-10(3-5-12)13(16)17/h2-5,9,11,15H,6-8H2,1H3,(H,16,17)

InChI Key:

XWUAYTSKHCREKO-UHFFFAOYSA-N

SMILES:

CC(C1CCN(C1)c1ccc(cc1)C(=O)O)O

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.283g/mol

Monoisotopic Mass:

235.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7