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142055-94-5 | Cyclohexanebutanal, 2-oxo-
CAS No: 142055-94-5 Catalog No: AG001HNZ MDL No:
Product Description
Catalog Number:
AG001HNZ
Chemical Name:
Cyclohexanebutanal, 2-oxo-
CAS Number:
142055-94-5
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
4-(2-oxocyclohexyl)butanal
InChI:
InChI=1S/C10H16O2/c11-8-4-3-6-9-5-1-2-7-10(9)12/h8-9H,1-7H2
InChI Key:
BWIBXQPFJPLBDB-UHFFFAOYSA-N
SMILES:
O=CCCCC1CCCCC1=O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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