200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 866-71-7
866-71-7 | 2,5-hexanedione, 3,3-dimethyl-
CAS No: 866-71-7 Catalog No: AG004TD9 MDL No:
Product Description
Catalog Number:
AG004TD9
Chemical Name:
2,5-hexanedione, 3,3-dimethyl-
CAS Number:
866-71-7
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
3,3-dimethylhexane-2,5-dione
InChI:
InChI=1S/C8H14O2/c1-6(9)5-8(3,4)7(2)10/h5H2,1-4H3
InChI Key:
CRVBWHZZWOZRCY-UHFFFAOYSA-N
SMILES:
CC(=O)CC(C(=O)C)(C)C
UNII:
POJ60J6753
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
© 2019 Angene International Limited. All rights Reserved.