sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Butanal, 2,2-dimethyl-

Butanal, 2,2-dimethyl-

CAS No.:
2094-75-9
Catalog Number:
AG002K8B
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002K8B
Chemical Name:
Butanal, 2,2-dimethyl-
CAS Number:
2094-75-9
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
MDL Number:
MFCD00055628
IUPAC Name:
2,2-dimethylbutanal
InChI:
InChI=1S/C6H12O/c1-4-6(2,3)5-7/h5H,4H2,1-3H3
InChI Key:
QYPLKDUOPJZROX-UHFFFAOYSA-N
SMILES:
CCC(C=O)(C)C
Properties
Complexity:
64.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Design, synthesis, and biological activities of milbemycin analogues. Journal of agricultural and food chemistry 20110511
Synthesis, characterization and quantification of simvastatin metabolites and impurities. Scientia pharmaceutica 20110101
Engineered polyketide biosynthesis and biocatalysis in Escherichia coli. Applied microbiology and biotechnology 20101201
Molecular modeling, synthesis, and screening of new bacterial quorumsensing antagonists. Journal of microbiology and biotechnology 20071001
Properties