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Home Aminos (Z)-4-Oxo-4-(phenylamino)but-2-enoic acid

(Z)-4-Oxo-4-(phenylamino)but-2-enoic acid

CAS No.:
555-59-9
Catalog Number:
AG00D8IH
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$116
- +
5g
1 week
United States
$181
- +
10g
1 week
United States
$278
- +
25g
1 week
United States
$473
- +
Product Description
Catalog Number:
AG00D8IH
Chemical Name:
(Z)-4-Oxo-4-(phenylamino)but-2-enoic acid
CAS Number:
555-59-9
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD00014011
IUPAC Name:
(Z)-4-anilino-4-oxobut-2-enoic acid
InChI:
InChI=1S/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/b7-6-
InChI Key:
WHZLCOICKHIPRL-SREVYHEPSA-N
SMILES:
O=C(Nc1ccccc1)/C=C\C(=O)O
UNII:
34WZT58X7C
NSC Number:
5333
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Antifungal, cytotoxic and SAR studies of a series of N-alkyl, N-aryl and N-alkylphenyl-1,4-pyrrolediones and related compounds. Bioorganic & medicinal chemistry 20110501
Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore. Bioorganic & medicinal chemistry letters 20100301
N-Phenyl and N-phenylalkyl-maleimides acting against Candida spp.: time-to-kill, stability, interaction with maleamic acids. Bioorganic & medicinal chemistry 20080101
Properties