Home Other Building Blocks 1-cyclohexylpentane-1,3-dione

1-cyclohexylpentane-1,3-dione

CAS No.:
25790-34-5
Catalog Number:
AG01C4ZD
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
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Product Description
Catalog Number:
AG01C4ZD
Chemical Name:
1-cyclohexylpentane-1,3-dione
CAS Number:
25790-34-5
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
MDL Number:
MFCD08700478
IUPAC Name:
1-cyclohexylpentane-1,3-dione
InChI:
InChI=1S/C11H18O2/c1-2-10(12)8-11(13)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChI Key:
BXPLVRDZCIJGLU-UHFFFAOYSA-N
SMILES:
CCC(=O)CC(=O)C1CCCCC1
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties