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116161-58-1 | 2,4-Decadienoic acid, 3,9-dimethyl-, 1-methylethyl ester, (Z,E)- (9CI)
CAS No: 116161-58-1 Catalog No: AG000BSK MDL No:
Product Description
Catalog Number:
AG000BSK
Chemical Name:
2,4-Decadienoic acid, 3,9-dimethyl-, 1-methylethyl ester, (Z,E)- (9CI)
CAS Number:
116161-58-1
Molecular Formula:
C15H26O2
Molecular Weight:
238.3657
IUPAC Name:
propan-2-yl 3,9-dimethyldeca-2,4-dienoate
InChI:
InChI=1S/C15H26O2/c1-12(2)9-7-6-8-10-14(5)11-15(16)17-13(3)4/h8,10-13H,6-7,9H2,1-5H3
InChI Key:
YMUCPSIYWYUNCM-UHFFFAOYSA-N
SMILES:
CC(CCC/C=C/C(=C\C(=O)OC(C)C)/C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.193g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.371g/mol
Monoisotopic Mass:
238.193g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.3
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