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121950-10-5 | 2,4-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (2E,4E)-
CAS No: 121950-10-5 Catalog No: AG0016GT MDL No:
Product Description
Catalog Number:
AG0016GT
Chemical Name:
2,4-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (2E,4E)-
CAS Number:
121950-10-5
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
ethyl 3,7-dimethylocta-2,4-dienoate
InChI:
InChI=1S/C12H20O2/c1-5-14-12(13)9-11(4)8-6-7-10(2)3/h6,8-10H,5,7H2,1-4H3
InChI Key:
MQXSHODTFHTCBI-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(/C=C/CC(C)C)\C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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