CAS 16921-36-1 | Benzenepropanoic acid, 4-amino-α-oxo- | CAS Number 16921-36-1

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Amines > 16921-36-1

16921-36-1 | Benzenepropanoic acid, 4-amino-α-oxo-

CAS No: 16921-36-1 Catalog No: AG001YLF MDL No:

Product Description

Catalog Number:

AG001YLF

Chemical Name:

Benzenepropanoic acid, 4-amino-α-oxo-

CAS Number:

16921-36-1

Molecular Formula:

C9H9NO3

Molecular Weight:

179.1727

IUPAC Name:

3-(4-aminophenyl)-2-oxopropanoic acid

InChI:

InChI=1S/C9H9NO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5,10H2,(H,12,13)

InChI Key:

HWDZIRSKXFAMFU-UHFFFAOYSA-N

SMILES:

O=C(C(=O)O)Cc1ccc(cc1)N

Properties

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.175g/mol

Monoisotopic Mass:

179.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
The TyrA family of aromatic-pathway dehydrogenases in phylogenetic context.	BMC biology 20050101
Para-position derivatives of fungal anthelmintic cyclodepsipeptides engineered with Streptomyces venezuelae antibiotic biosynthetic genes.	Nature biotechnology 20040701