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89814-29-9 | 2-Propenoic acid, 2-cyano-3-(4-iodophenyl)-, ethyl ester
CAS No: 89814-29-9 Catalog No: AG0086M7 MDL No:
Product Description
Catalog Number:
AG0086M7
Chemical Name:
2-Propenoic acid, 2-cyano-3-(4-iodophenyl)-, ethyl ester
CAS Number:
89814-29-9
Molecular Formula:
C12H10INO2
Molecular Weight:
327.1178
IUPAC Name:
ethyl 2-cyano-3-(4-iodophenyl)prop-2-enoate
InChI:
InChI=1S/C12H10INO2/c1-2-16-12(15)10(8-14)7-9-3-5-11(13)6-4-9/h3-7H,2H2,1H3
InChI Key:
DSQODMDMTCCHQS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccc(cc1)I)C#N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.976g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.121g/mol
Monoisotopic Mass:
326.976g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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