Name: Name:Benzoic acid, 4-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]-
Brand: Angene
SKU: AG001WR2
Rating: 90 (10 reviews)

Benzoic acid, 4-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]-

CAS No.:

166442-37-1

Catalog Number:

AG001WR2

Molecular Formula:

C18H18N2O5

Molecular Weight:

342.3459

Catalog Number:

AG001WR2

Chemical Name:

Benzoic acid, 4-(acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]-

CAS Number:

166442-37-1

Molecular Formula:

C18H18N2O5

Molecular Weight:

342.3459

MDL Number:

MFCD01863321

IUPAC Name:

4-acetamido-2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid

InChI:

InChI=1S/C18H18N2O5/c1-10(21)19-11-4-6-13(18(24)25)15(8-11)17(23)14-7-5-12(20(2)3)9-16(14)22/h4-9,22H,1-3H3,(H,19,21)(H,24,25)

InChI Key:

WCNJYYOJSXOYND-UHFFFAOYSA-N

SMILES:

CC(=O)Nc1ccc(c(c1)C(=O)c1ccc(cc1O)N(C)C)C(=O)O

Complexity:

522

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

342.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

342.351g/mol

Monoisotopic Mass:

342.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1