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16000-65-0 | 7,8-Tetradecanediol
CAS No: 16000-65-0 Catalog No: AG001RKZ MDL No:
Product Description
Catalog Number:
AG001RKZ
Chemical Name:
7,8-Tetradecanediol
CAS Number:
16000-65-0
Molecular Formula:
C14H30O2
Molecular Weight:
230.3868
IUPAC Name:
tetradecane-7,8-diol
InChI:
InChI=1S/C14H30O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChI Key:
XKZGHFFSJSBUFA-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(CCCCCC)O)O
EC Number:
240-134-9
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.225g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.392g/mol
Monoisotopic Mass:
230.225g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Products and mechanisms of the gas-phase reactions of OH radicals with 1-octene and 7-tetradecene in the presence of NO. | Environmental science & technology 20100515 |
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