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2009-83-8 | 1-Hexanol, 6-chloro-
CAS No: 2009-83-8 Catalog No: AG002D38 MDL No:MFCD00002984
Product Description
Catalog Number:
AG002D38
Chemical Name:
1-Hexanol, 6-chloro-
CAS Number:
2009-83-8
Molecular Formula:
C6H13ClO
Molecular Weight:
136.6198
MDL Number:
MFCD00002984
IUPAC Name:
6-chlorohexan-1-ol
InChI:
InChI=1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChI Key:
JNTPTNNCGDAGEJ-UHFFFAOYSA-N
SMILES:
OCCCCCCCl
EC Number:
217-925-2
UNII:
T2HIT6N5UF
NSC Number:
3700
Properties
Complexity:
39.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.065g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.619g/mol
Monoisotopic Mass:
136.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| A synthesis of the phenolic lipid, 3-[(Z)-pentadec-8-enyl] catechol, (15:1)-urushiol. | Chemistry and physics of lipids 20021201 |
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