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15506-56-6 | 2,4-Pentanedione, 3-butylidene-
CAS No: 15506-56-6 Catalog No: AG001NLT MDL No:
Product Description
Catalog Number:
AG001NLT
Chemical Name:
2,4-Pentanedione, 3-butylidene-
CAS Number:
15506-56-6
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
3-butylidenepentane-2,4-dione
InChI:
InChI=1S/C9H14O2/c1-4-5-6-9(7(2)10)8(3)11/h6H,4-5H2,1-3H3
InChI Key:
ZKLLKUDCSQKLLK-UHFFFAOYSA-N
SMILES:
CCCC=C(C(=O)C)C(=O)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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