sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4,4-Dimethyl-3-oxo-pentanal

4,4-Dimethyl-3-oxo-pentanal

CAS No.:
23459-13-4
Catalog Number:
AG002NB4
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
5g
95%
In Stock USA
United States
$125
- +
25g
95%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG002NB4
Chemical Name:
4,4-Dimethyl-3-oxo-pentanal
CAS Number:
23459-13-4
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00042806
IUPAC Name:
4,4-dimethyl-3-oxopentanal
InChI:
InChI=1S/C7H12O2/c1-7(2,3)6(9)4-5-8/h5H,4H2,1-3H3
InChI Key:
VLJKEQYDVMCGHW-UHFFFAOYSA-N
SMILES:
O=CCC(=O)C(C)(C)C
EC Number:
245-672-8
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Degradation of isooctane by Mycobacterium austroafricanum IFP 2173: growth and catabolic pathway. Journal of applied microbiology 20040101
Products and mechanism of the reaction of OH radicals with 2,2,4-trimethylpentane in the presence of NO. Environmental science & technology 20020215
Properties