Name: Name:(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoic acid
Brand: Angene
SKU: AG00BYO7
Rating: 90 (10 reviews)

(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoic acid

CAS No.:

38489-76-8

Catalog Number:

AG00BYO7

Molecular Formula:

C10H8O4

Molecular Weight:

192.1681

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Product Description

Catalog Number:

AG00BYO7

Chemical Name:

(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoic acid

CAS Number:

38489-76-8

Molecular Formula:

C10H8O4

Molecular Weight:

192.1681

MDL Number:

MFCD00005837

IUPAC Name:

(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid

InChI:

InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+

InChI Key:

QFQYZMGOKIROEC-DUXPYHPUSA-N

SMILES:

OC(=O)C=Cc1ccc2c(c1)OCO2

EC Number:

219-151-0

UNII:

X8H0WPJ08Y

Properties

Complexity:

249

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.17g/mol

Monoisotopic Mass:

192.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Incorporation of Privileged Structures into Bevirimat Can Improve Activity against Wild-Type and Bevirimat-Resistant HIV-1.	Journal of medicinal chemistry 20161013
Enhanced anti-influenza agents conjugated with anti-inflammatory activity.	Journal of medicinal chemistry 20121011
Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A).	Bioorganic & medicinal chemistry letters 20110501
An efficient and economical MTT assay for determining the antioxidant activity of plant natural product extracts and pure compounds.	Journal of natural products 20100723

Properties