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13901-85-4 | 2,5-Heptanedione, 6-methyl-
CAS No: 13901-85-4 Catalog No: AG001A0X MDL No:MFCD16706896
Product Description
Catalog Number:
AG001A0X
Chemical Name:
2,5-Heptanedione, 6-methyl-
CAS Number:
13901-85-4
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD16706896
IUPAC Name:
6-methylheptane-2,5-dione
InChI:
InChI=1S/C8H14O2/c1-6(2)8(10)5-4-7(3)9/h6H,4-5H2,1-3H3
InChI Key:
GQOZVBVPTAONFU-UHFFFAOYSA-N
SMILES:
CC(=O)CCC(=O)C(C)C
Properties
Complexity:
136
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:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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