CAS 1126-74-5 | 2-Propenoic acid, 3-(3-pyridinyl)- | CAS Number 1126-74-5

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Pyridines > 1126-74-5

1126-74-5 | 2-Propenoic acid, 3-(3-pyridinyl)-

CAS No: 1126-74-5 Catalog No: AG00IKJI MDL No:MFCD00006410

Product Description

Catalog Number:

AG00IKJI

Chemical Name:

2-Propenoic acid, 3-(3-pyridinyl)-

CAS Number:

1126-74-5

Molecular Formula:

C8H7NO2

Molecular Weight:

149.1467

MDL Number:

MFCD00006410

IUPAC Name:

(E)-3-pyridin-3-ylprop-2-enoic acid

InChI:

InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)/b4-3+

InChI Key:

VUVORVXMOLQFMO-ONEGZZNKSA-N

SMILES:

OC(=O)C=Cc1cccnc1

Properties

Complexity:

166

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

149.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

149.149g/mol

Monoisotopic Mass:

149.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A).	Bioorganic & medicinal chemistry letters 20110501
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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