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139732-51-7 | Cyclohexanecarboxaldehyde, 2-(phenylmethoxy)-
CAS No: 139732-51-7 Catalog No: AG001BM9 MDL No:
Product Description
Catalog Number:
AG001BM9
Chemical Name:
Cyclohexanecarboxaldehyde, 2-(phenylmethoxy)-
CAS Number:
139732-51-7
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
2-phenylmethoxycyclohexane-1-carbaldehyde
InChI:
InChI=1S/C14H18O2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-3,6-7,10,13-14H,4-5,8-9,11H2
InChI Key:
XHANOJXOZWYBHN-UHFFFAOYSA-N
SMILES:
O=CC1CCCCC1OCc1ccccc1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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