CAS 52363-40-3 | methyl 3-(1H-imidazol-4-yl)acrylate | CAS Number 52363-40-3

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52363-40-3 | methyl 3-(1H-imidazol-4-yl)acrylate

CAS No: 52363-40-3 Catalog No: AG00DETU MDL No:MFCD01823277

Product Description

Catalog Number:

AG00DETU

Chemical Name:

methyl 3-(1H-imidazol-4-yl)acrylate

CAS Number:

52363-40-3

Molecular Formula:

C7H8N2O2

Molecular Weight:

152.1506

MDL Number:

MFCD01823277

IUPAC Name:

methyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate

InChI:

InChI=1S/C7H8N2O2/c1-11-7(10)3-2-6-4-8-5-9-6/h2-5H,1H3,(H,8,9)/b3-2+

InChI Key:

ZXKOENSQFURTSZ-NSCUHMNNSA-N

SMILES:

COC(=O)/C=C/c1cnc[nH]1

EC Number:

257-872-2

NSC Number:

716680

Properties

Complexity:

168

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

152.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

152.153g/mol

Monoisotopic Mass:

152.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
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
Ring-substituted imidazoles as a new class of anti-tuberculosis agents.	European journal of medicinal chemistry 20040901