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17958-06-4 | 6,10-Dodecadien-1-yn-3-ol, 3,7,11-trimethyl-, 3-acetate, (6E)-
CAS No: 17958-06-4 Catalog No: AG00274G MDL No:
Product Description
Catalog Number:
AG00274G
Chemical Name:
6,10-Dodecadien-1-yn-3-ol, 3,7,11-trimethyl-, 3-acetate, (6E)-
CAS Number:
17958-06-4
Molecular Formula:
C17H26O2
Molecular Weight:
262.3871
IUPAC Name:
acetic acid;3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
InChI:
InChI=1S/C15H24O.C2H4O2/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3;1-2(3)4/h1,9,11,16H,7-8,10,12H2,2-5H3;1H3,(H,3,4)
InChI Key:
XSUPBLGEOKDKKW-UHFFFAOYSA-N
SMILES:
C#CC(OC(=O)C)(CC/C=C(/CCC=C(C)C)\C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.204g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.408g/mol
Monoisotopic Mass:
280.204g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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