Name: Name:Benzenepropanoic acid, β-amino-3-cyano-, hydrochloride (1:1)
Brand: Angene
SKU: AG0022KH
Rating: 90 (10 reviews)

Benzenepropanoic acid, β-amino-3-cyano-, hydrochloride (1:1)

CAS No.:

1810069-92-1

Catalog Number:

AG0022KH

Molecular Formula:

C10H11ClN2O2

Molecular Weight:

226.6595

Catalog Number:

AG0022KH

Chemical Name:

Benzenepropanoic acid, β-amino-3-cyano-, hydrochloride (1:1)

CAS Number:

1810069-92-1

Molecular Formula:

C10H11ClN2O2

Molecular Weight:

226.6595

MDL Number:

MFCD28986158

IUPAC Name:

3-amino-3-(3-cyanophenyl)propanoic acid;hydrochloride

InChI:

InChI=1S/C10H10N2O2.ClH/c11-6-7-2-1-3-8(4-7)9(12)5-10(13)14;/h1-4,9H,5,12H2,(H,13,14);1H

InChI Key:

KDFAFLSYAXYZBB-UHFFFAOYSA-N

SMILES:

N#Cc1cccc(c1)C(CC(=O)O)N.Cl

Complexity:

256

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.66g/mol

Monoisotopic Mass:

226.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: