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89645-25-0 | 3,5-Heptadienoic acid, 5,6-dimethyl-, ethyl ester, (E)-
CAS No: 89645-25-0 Catalog No: AG003VS0 MDL No:
Product Description
Catalog Number:
AG003VS0
Chemical Name:
3,5-Heptadienoic acid, 5,6-dimethyl-, ethyl ester, (E)-
CAS Number:
89645-25-0
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
ethyl 5,6-dimethylhepta-3,5-dienoate
InChI:
InChI=1S/C11H18O2/c1-5-13-11(12)8-6-7-10(4)9(2)3/h6-7H,5,8H2,1-4H3
InChI Key:
WBOUVDIFXXQXDR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C/C=C/C(=C(C)C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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