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67698-56-0 | Benzaldehyde, 3-(cyclohexyloxy)-
CAS No: 67698-56-0 Catalog No: AG00643O MDL No:
Product Description
Catalog Number:
AG00643O
Chemical Name:
Benzaldehyde, 3-(cyclohexyloxy)-
CAS Number:
67698-56-0
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
3-cyclohexyloxybenzaldehyde
InChI:
InChI=1S/C13H16O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7H2
InChI Key:
ANZNSMSDNDIFIQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OC1CCCCC1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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