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1330-71-8 | Octadecanediol
CAS No: 1330-71-8 Catalog No: AG0011HU MDL No:
Product Description
Catalog Number:
AG0011HU
Chemical Name:
Octadecanediol
CAS Number:
1330-71-8
Molecular Formula:
C18H38O2
Molecular Weight:
286.4931
IUPAC Name:
octadecane-1,1-diol
InChI:
InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18-20H,2-17H2,1H3
InChI Key:
VJQGGZWPOMJLTP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(O)O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.287g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.5g/mol
Monoisotopic Mass:
286.287g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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