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15962-87-5 | 9,10-Octadecanediol
CAS No: 15962-87-5 Catalog No: AG001R8V MDL No:
Product Description
Catalog Number:
AG001R8V
Chemical Name:
9,10-Octadecanediol
CAS Number:
15962-87-5
Molecular Formula:
C18H38O2
Molecular Weight:
286.4931
IUPAC Name:
octadecane-9,10-diol
InChI:
InChI=1S/C18H38O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChI Key:
CWFGKWQPVBFODR-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(CCCCCCCC)O)O
Properties
Complexity:
162
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:
15
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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