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Home > Imidazoles > 87265-59-6
87265-59-6 | 2-Propenoic acid, 3-(1H-imidazol-1-yl)-3-phenyl-, ethyl ester
CAS No: 87265-59-6 Catalog No: AG004IA2 MDL No:
Product Description
Catalog Number:
AG004IA2
Chemical Name:
2-Propenoic acid, 3-(1H-imidazol-1-yl)-3-phenyl-, ethyl ester
CAS Number:
87265-59-6
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
ethyl 3-imidazol-1-yl-3-phenylprop-2-enoate
InChI:
InChI=1S/C14H14N2O2/c1-2-18-14(17)10-13(16-9-8-15-11-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChI Key:
FTTOBTTWDSJMOD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(n1cncc1)c1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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