Name: Name:4-{[2-(oxolan-2-yl)ethyl]amino}benzoic acid
Brand: Angene
SKU: AG01BVNF
Rating: 90 (10 reviews)

4-{[2-(oxolan-2-yl)ethyl]amino}benzoic acid

CAS No.:

1460254-85-6

Catalog Number:

AG01BVNF

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

Catalog Number:

AG01BVNF

Chemical Name:

4-{[2-(oxolan-2-yl)ethyl]amino}benzoic acid

CAS Number:

1460254-85-6

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

MDL Number:

MFCD17509102

IUPAC Name:

4-[2-(oxolan-2-yl)ethylamino]benzoic acid

InChI:

InChI=1S/C13H17NO3/c15-13(16)10-3-5-11(6-4-10)14-8-7-12-2-1-9-17-12/h3-6,12,14H,1-2,7-9H2,(H,15,16)

InChI Key:

FZOVIQODSGRVAW-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)NCCC1CCCO1

Complexity:

249

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:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2