CAS 15690-24-1 | 2-Propenoic acid, 3-(2-furanyl)-, (2E)- | CAS Number 15690-24-1

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15690-24-1 | 2-Propenoic acid, 3-(2-furanyl)-, (2E)-

CAS No: 15690-24-1 Catalog No: AG001P2H MDL No:MFCD00003257

Product Description

Catalog Number:

AG001P2H

Chemical Name:

2-Propenoic acid, 3-(2-furanyl)-, (2E)-

CAS Number:

15690-24-1

Molecular Formula:

C7H6O3

Molecular Weight:

138.1207

MDL Number:

MFCD00003257

IUPAC Name:

(E)-3-(furan-2-yl)prop-2-enoic acid

InChI:

InChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+

InChI Key:

ZCJLOOJRNPHKAV-ONEGZZNKSA-N

SMILES:

OC(=O)/C=C/c1ccco1

EC Number:

208-718-8

UNII:

M2U24OA3UJ

Properties

Complexity:

151

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

138.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

138.122g/mol

Monoisotopic Mass:

138.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

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