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1577-55-5 | 9-Octadecene-1,12-diol
CAS No: 1577-55-5 Catalog No: AG001PN6 MDL No:
Product Description
Catalog Number:
AG001PN6
Chemical Name:
9-Octadecene-1,12-diol
CAS Number:
1577-55-5
Molecular Formula:
C18H36O2
Molecular Weight:
284.4772
IUPAC Name:
(E)-octadec-9-ene-1,12-diol
InChI:
InChI=1S/C18H36O2/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18-20H,2-9,11-12,14-17H2,1H3/b13-10+
InChI Key:
DKBBOWMEYUBDGN-JLHYYAGUSA-N
SMILES:
CCCCCCC(CC=CCCCCCCCCO)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
284.272g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.484g/mol
Monoisotopic Mass:
284.272g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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