Name: Name:2-[(2-cyanoacetyl)amino]benzoate
Brand: Angene
SKU: AG004P5N
Rating: 90 (10 reviews)

2-[(2-cyanoacetyl)amino]benzoate

CAS No.:

87613-40-9

Catalog Number:

AG004P5N

Molecular Formula:

C10H7N2O3-

Molecular Weight:

203.1742

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Product Description

Catalog Number:

AG004P5N

Chemical Name:

2-[(2-cyanoacetyl)amino]benzoate

CAS Number:

87613-40-9

Molecular Formula:

C10H7N2O3-

Molecular Weight:

203.1742

MDL Number:

MFCD00088504

IUPAC Name:

2-[(2-cyanoacetyl)amino]benzoic acid

InChI:

InChI=1S/C10H8N2O3/c11-6-5-9(13)12-8-4-2-1-3-7(8)10(14)15/h1-4H,5H2,(H,12,13)(H,14,15)

InChI Key:

LNMDMNGHWPNZBO-UHFFFAOYSA-N

SMILES:

N#CCC(=O)Nc1ccccc1C(=O)[O-]

Properties

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.185g/mol

Monoisotopic Mass:

204.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501