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10032-02-7 | Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CAS No: 10032-02-7 Catalog No: AG0001MS MDL No:
Product Description
Catalog Number:
AG0001MS
Chemical Name:
Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CAS Number:
10032-02-7
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
IUPAC Name:
[(2E)-3,7-dimethylocta-2,6-dienyl] hexanoate
InChI:
InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12+
InChI Key:
ARVSCQUZFFSNKF-NTCAYCPXSA-N
SMILES:
CCCCCC(=O)OC/C=C(/CCC=C(C)C)\C
UNII:
7YL4OO10LS
FEMA Number:
2515
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
252.209g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.398g/mol
Monoisotopic Mass:
252.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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