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69395-94-4 | 2-Propenoic acid, 3-[1-(2-cyanoethyl)-1H-imidazol-4-yl]-, ethyl ester
CAS No: 69395-94-4 Catalog No: AG006F32 MDL No:
Product Description
Catalog Number:
AG006F32
Chemical Name:
2-Propenoic acid, 3-[1-(2-cyanoethyl)-1H-imidazol-4-yl]-, ethyl ester
CAS Number:
69395-94-4
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
ethyl 3-[1-(2-cyanoethyl)imidazol-4-yl]prop-2-enoate
InChI:
InChI=1S/C11H13N3O2/c1-2-16-11(15)5-4-10-8-14(9-13-10)7-3-6-12/h4-5,8-9H,2-3,7H2,1H3
InChI Key:
XQJCFMTZYRYZAF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=Cc1cn(cn1)CCC#N
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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