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188897-65-6 | 2,4-Hexadienoic acid, 2-cyano-5-methyl-, ethyl ester, (2E)-
CAS No: 188897-65-6 Catalog No: AG002HGP MDL No:
Product Description
Catalog Number:
AG002HGP
Chemical Name:
2,4-Hexadienoic acid, 2-cyano-5-methyl-, ethyl ester, (2E)-
CAS Number:
188897-65-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
ethyl 2-cyano-5-methylhexa-2,4-dienoate
InChI:
InChI=1S/C10H13NO2/c1-4-13-10(12)9(7-11)6-5-8(2)3/h5-6H,4H2,1-3H3
InChI Key:
JRSBKLWMQFRSMD-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/C=C(C)C)/C#N
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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