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1123-86-0 | 1-Cyclohexylpropan-1-one
CAS No: 1123-86-0 Catalog No: AG003P54 MDL No:MFCD00060814
Product Description
Catalog Number:
AG003P54
Chemical Name:
1-Cyclohexylpropan-1-one
CAS Number:
1123-86-0
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD00060814
IUPAC Name:
1-cyclohexylpropan-1-one
InChI:
InChI=1S/C9H16O/c1-2-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChI Key:
AMHOPTNGSNYSBL-UHFFFAOYSA-N
SMILES:
CCC(=O)C1CCCCC1
EC Number:
214-380-2
NSC Number:
39457
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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