Home Other Building Blocks Octan-4-one

Octan-4-one

CAS No.:
589-63-9
Catalog Number:
AG003TGQ
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$175
- +
5g
1 week
United States
$505
- +
10g
1 week
United States
$932
- +
25g
1 week
United States
$1812
- +
Product Description
Catalog Number:
AG003TGQ
Chemical Name:
Octan-4-one
CAS Number:
589-63-9
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00027241
IUPAC Name:
octan-4-one
InChI:
InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3
InChI Key:
YWXLSHOWXZUMSR-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CCC
EC Number:
209-655-9
NSC Number:
43245
Properties
Complexity:
76.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties