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Home > Aldehydes > 1780650-83-0
1780650-83-0 | 3-(1-(hydroxymethyl)cyclohexyl)benzaldehyde
CAS No: 1780650-83-0 Catalog No: AG01FM6T MDL No:MFCD29764085
Product Description
Catalog Number:
AG01FM6T
Chemical Name:
3-(1-(hydroxymethyl)cyclohexyl)benzaldehyde
CAS Number:
1780650-83-0
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
MDL Number:
MFCD29764085
IUPAC Name:
3-[1-(hydroxymethyl)cyclohexyl]benzaldehyde
InChI:
InChI=1S/C14H18O2/c15-10-12-5-4-6-13(9-12)14(11-16)7-2-1-3-8-14/h4-6,9-10,16H,1-3,7-8,11H2
InChI Key:
PDEYPPLHXKSWLD-UHFFFAOYSA-N
SMILES:
OCC1(CCCCC1)c1cccc(c1)C=O
Properties
Complexity:
231
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:
1
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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