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Home Other Building Blocks methyl 3-(1H-imidazol-4-yl)acrylate

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

CAS No.:
52363-40-3
Catalog Number:
AG00DETU
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
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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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties