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Home > Aldehydes > 897656-30-3
897656-30-3 | 3-CYCLOHEXYL-4-METHYLTHIOPHENE-2-ALDEHYDE
CAS No: 897656-30-3 Catalog No: AG0040J9 MDL No:
Product Description
Catalog Number:
AG0040J9
Chemical Name:
3-CYCLOHEXYL-4-METHYLTHIOPHENE-2-ALDEHYDE
CAS Number:
897656-30-3
Molecular Formula:
C12H16OS
Molecular Weight:
208.3198
IUPAC Name:
3-cyclohexyl-4-methylthiophene-2-carbaldehyde
InChI:
InChI=1S/C12H16OS/c1-9-8-14-11(7-13)12(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChI Key:
MHNKJNBIAQCZQL-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1C1CCCCC1)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.319g/mol
Monoisotopic Mass:
208.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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