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80060-79-3 | 9-Octadecene-1,18-diol, diacetate, (Z)-
CAS No: 80060-79-3 Catalog No: AG00559Y MDL No:
Product Description
Catalog Number:
AG00559Y
Chemical Name:
9-Octadecene-1,18-diol, diacetate, (Z)-
CAS Number:
80060-79-3
Molecular Formula:
C22H44O6
Molecular Weight:
404.5812
IUPAC Name:
acetic acid;octadec-9-ene-1,18-diol
InChI:
InChI=1S/C18H36O2.2C2H4O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20;2*1-2(3)4/h1-2,19-20H,3-18H2;2*1H3,(H,3,4)
InChI Key:
ZTPQVPCPCZZGML-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.OCCCCCCCC/C=C\CCCCCCCCO
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.314g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
404.588g/mol
Monoisotopic Mass:
404.314g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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