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23433-07-0 | 1,3-Nonanediol
CAS No: 23433-07-0 Catalog No: AG002N7V MDL No:
Product Description
Catalog Number:
AG002N7V
Chemical Name:
1,3-Nonanediol
CAS Number:
23433-07-0
Molecular Formula:
C9H20O2
Molecular Weight:
160.2539
IUPAC Name:
nonane-1,3-diol
InChI:
InChI=1S/C9H20O2/c1-2-3-4-5-6-9(11)7-8-10/h9-11H,2-8H2,1H3
InChI Key:
CGNJFUJNEYIYRZ-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCO)O
EC Number:
245-660-2
Properties
Complexity:
74
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.146g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.257g/mol
Monoisotopic Mass:
160.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| A novel method for the determination of total 1,3-octanediols in apple juice via 1,3-dioxanes by solid-phase microextraction and high-speed gas chromatography. | Journal of chromatography. A 20100430 |
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