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141974-85-8 | 1,7-Octadienol, acetate (9CI)
CAS No: 141974-85-8 Catalog No: AG001HH4 MDL No:
Product Description
Catalog Number:
AG001HH4
Chemical Name:
1,7-Octadienol, acetate (9CI)
CAS Number:
141974-85-8
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
acetic acid;octa-1,7-dien-1-ol
InChI:
InChI=1S/C8H14O.C2H4O2/c1-2-3-4-5-6-7-8-9;1-2(3)4/h2,7-9H,1,3-6H2;1H3,(H,3,4)
InChI Key:
DHMTXGAEABOUDJ-UHFFFAOYSA-N
SMILES:
CC(=O)OC=CCCCCC=C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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