200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13706-86-0
13706-86-0 | 2,3-Hexanedione, 5-methyl-
CAS No: 13706-86-0 Catalog No: AG0012SJ MDL No:MFCD00059352
Product Description
Catalog Number:
AG0012SJ
Chemical Name:
2,3-Hexanedione, 5-methyl-
CAS Number:
13706-86-0
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00059352
IUPAC Name:
5-methylhexane-2,3-dione
InChI:
InChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3
InChI Key:
PQCLJXVUAWLNSV-UHFFFAOYSA-N
SMILES:
CC(CC(=O)C(=O)C)C
EC Number:
237-241-8
UNII:
ZI95KZ32L4
FEMA Number:
3190
Properties
Complexity:
125
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:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.