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66334-22-3 | Cyclohexanecarboxaldehyde, 1-(2-oxopropyl)-
CAS No: 66334-22-3 Catalog No: AG006NBO MDL No:MFCD24674364
Product Description
Catalog Number:
AG006NBO
Chemical Name:
Cyclohexanecarboxaldehyde, 1-(2-oxopropyl)-
CAS Number:
66334-22-3
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD24674364
IUPAC Name:
1-(2-oxopropyl)cyclohexane-1-carbaldehyde
InChI:
InChI=1S/C10H16O2/c1-9(12)7-10(8-11)5-3-2-4-6-10/h8H,2-7H2,1H3
InChI Key:
SCVPGQKUCPWPRD-UHFFFAOYSA-N
SMILES:
O=CC1(CCCCC1)CC(=O)C
Properties
Complexity:
178
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:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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