CAS 17812-07-6 | 2-Butenoic acid, 4-oxo-4-phenyl-, (2E)- | CAS Number 17812-07-6

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17812-07-6 | 2-Butenoic acid, 4-oxo-4-phenyl-, (2E)-

CAS No: 17812-07-6 Catalog No: AG0025RR MDL No:MFCD00014015

Product Description

Catalog Number:

AG0025RR

Chemical Name:

2-Butenoic acid, 4-oxo-4-phenyl-, (2E)-

CAS Number:

17812-07-6

Molecular Formula:

C10H8O3

Molecular Weight:

176.1687

MDL Number:

MFCD00014015

IUPAC Name:

(E)-4-oxo-4-phenylbut-2-enoic acid

InChI:

InChI=1S/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6+

InChI Key:

PLPDHGOODMBBGN-VOTSOKGWSA-N

SMILES:

O=C(c1ccccc1)/C=C/C(=O)O

NSC Number:

143

Properties

Complexity:

224

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.171g/mol

Monoisotopic Mass:

176.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Identification of influenza endonuclease inhibitors using a novel fluorescence polarization assay.	ACS chemical biology 20120316
Antiproliferative activity of aroylacrylic acids. Structure-activity study based on molecular interaction fields.	European journal of medicinal chemistry 20110801
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Use of a pharmacophore model to discover a new class of influenza endonuclease inhibitors.	Journal of medicinal chemistry 20030327
UV filter instability: consequences for the human lens.	Experimental eye research 20020801
Inhibition of cap (m7GpppXm)-dependent endonuclease of influenza virus by 4-substituted 2,4-dioxobutanoic acid compounds.	Antimicrobial agents and chemotherapy 19941201