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89030-50-2 | Cyclohexanone, 3-hydroxy-2-methyl-2-[(1-naphthalenylmethyl)thio]-
CAS No: 89030-50-2 Catalog No: AG0042Q8 MDL No:
Product Description
Catalog Number:
AG0042Q8
Chemical Name:
Cyclohexanone, 3-hydroxy-2-methyl-2-[(1-naphthalenylmethyl)thio]-
CAS Number:
89030-50-2
Molecular Formula:
C18H20O2S
Molecular Weight:
300.4152
IUPAC Name:
3-hydroxy-2-methyl-2-(naphthalen-1-ylmethylsulfanyl)cyclohexan-1-one
InChI:
InChI=1S/C18H20O2S/c1-18(16(19)10-5-11-17(18)20)21-12-14-8-4-7-13-6-2-3-9-15(13)14/h2-4,6-9,16,19H,5,10-12H2,1H3
InChI Key:
WMNOYXAMDHGYNI-UHFFFAOYSA-N
SMILES:
OC1CCCC(=O)C1(C)SCc1cccc2c1cccc2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.118g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.416g/mol
Monoisotopic Mass:
300.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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