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67879-36-1 | 2-Propenoic acid, 3-(1-methyl-1H-imidazol-4-yl)-, ethyl ester, (E)-
CAS No: 67879-36-1 Catalog No: AG005P5W MDL No:
Product Description
Catalog Number:
AG005P5W
Chemical Name:
2-Propenoic acid, 3-(1-methyl-1H-imidazol-4-yl)-, ethyl ester, (E)-
CAS Number:
67879-36-1
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
ethyl 3-(1-methylimidazol-4-yl)prop-2-enoate
InChI:
InChI=1S/C9H12N2O2/c1-3-13-9(12)5-4-8-6-11(2)7-10-8/h4-7H,3H2,1-2H3
InChI Key:
LJMXFEOGVVBAOQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/c1ncn(c1)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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