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30932-95-7 | 2,4,8-Decatrienoic acid, 5,9-dimethyl-, ethyl ester
CAS No: 30932-95-7 Catalog No: AG0031P4 MDL No:
Product Description
Catalog Number:
AG0031P4
Chemical Name:
2,4,8-Decatrienoic acid, 5,9-dimethyl-, ethyl ester
CAS Number:
30932-95-7
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
ethyl 5,9-dimethyldeca-2,4,8-trienoate
InChI:
InChI=1S/C14H22O2/c1-5-16-14(15)11-7-10-13(4)9-6-8-12(2)3/h7-8,10-11H,5-6,9H2,1-4H3
InChI Key:
OUMILASNGJWLED-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=CC=C(CCC=C(C)C)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.4
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