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88973-65-3 | 2,4-Hexadienoic acid, 1-ethyl-2-methyl-2-propenyl ester, (E,E)-
CAS No: 88973-65-3 Catalog No: AG0045BL MDL No:
Product Description
Catalog Number:
AG0045BL
Chemical Name:
2,4-Hexadienoic acid, 1-ethyl-2-methyl-2-propenyl ester, (E,E)-
CAS Number:
88973-65-3
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
2-methylpent-1-en-3-yl hexa-2,4-dienoate
InChI:
InChI=1S/C12H18O2/c1-5-7-8-9-12(13)14-11(6-2)10(3)4/h5,7-9,11H,3,6H2,1-2,4H3
InChI Key:
QZZJGSZWTCXFRE-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(=O)OC(C(=C)C)CC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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