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Heptan-3-ol

CAS No.:
589-82-2
Catalog Number:
AG003QUZ
Molecular Formula:
C7H16O
Molecular Weight:
116.2013
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$200
- +
5g
1 week
United States
$585
- +
10g
1 week
United States
$1091
- +
25g
1 week
United States
$2116
- +
Product Description
Catalog Number:
AG003QUZ
Chemical Name:
Heptan-3-ol
CAS Number:
589-82-2
Molecular Formula:
C7H16O
Molecular Weight:
116.2013
MDL Number:
MFCD00004586
IUPAC Name:
heptan-3-ol
InChI:
InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
InChI Key:
RZKSECIXORKHQS-UHFFFAOYSA-N
SMILES:
CCCCC(CC)O
EC Number:
209-661-1
FEMA Number:
3547
Properties
Complexity:
43.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.12g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
116.204g/mol
Monoisotopic Mass:
116.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Syntheses of enantiopure aliphatic secondary alcohols and acetates by bioresolution with lipase B from Candida antarctica. Molecules (Basel, Switzerland) 20120726
Inhibition of MMPs by alcohols. Dental materials : official publication of the Academy of Dental Materials 20110901
Detection of fungal development in closed spaces through the determination of specific chemical targets. Chemosphere 20080501
Solvent effect on ion-pair extraction of 2-(2-pyridylazo)-1-naphthol-4-sulfonate anion with solvated hydroxonium ion using alcohols and 1-octanol/octane mixed solvents. Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20010201
Properties