Home Other Building Blocks 4-Octanone, 3-methyl-

4-Octanone, 3-methyl-

CAS No.:
20754-04-5
Catalog Number:
AG002J42
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$341
- +
5g
1 week
United States
$1223
- +
10g
1 week
United States
$2360
- +
Product Description
Catalog Number:
AG002J42
Chemical Name:
4-Octanone, 3-methyl-
CAS Number:
20754-04-5
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
MDL Number:
MFCD00027239
IUPAC Name:
3-methyloctan-4-one
InChI:
InChI=1S/C9H18O/c1-4-6-7-9(10)8(3)5-2/h8H,4-7H2,1-3H3
InChI Key:
NXTOCVYXABBSGX-UHFFFAOYSA-N
SMILES:
CCCCC(=O)C(CC)C
Properties
Complexity:
96.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.136g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.242g/mol
Monoisotopic Mass:
142.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties