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13152-54-0 | 2,4-Heptanedione, 3-methyl-
CAS No: 13152-54-0 Catalog No: AG000ZC7 MDL No:
Product Description
Catalog Number:
AG000ZC7
Chemical Name:
2,4-Heptanedione, 3-methyl-
CAS Number:
13152-54-0
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
3-methylheptane-2,4-dione
InChI:
InChI=1S/C8H14O2/c1-4-5-8(10)6(2)7(3)9/h6H,4-5H2,1-3H3
InChI Key:
UQOOCVASVGYQCY-UHFFFAOYSA-N
SMILES:
CCCC(=O)C(C(=O)C)C
Properties
Complexity:
138
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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