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Home > Other Heterocycles > 22467-56-7
22467-56-7 | (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-methylbenzenesulfonate
CAS No: 22467-56-7 Catalog No: AG019EY2 MDL No:
Product Description
Catalog Number:
AG019EY2
Chemical Name:
(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-methylbenzenesulfonate
CAS Number:
22467-56-7
Molecular Formula:
C17H24O3S
Molecular Weight:
308.4357
IUPAC Name:
[(1R,2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H24O3S/c1-12-5-7-14(8-6-12)21(18,19)20-15-11-13-9-10-17(15,4)16(13,2)3/h5-8,13,15H,9-11H2,1-4H3/t13?,15-,17-/m0/s1
InChI Key:
POEHXTIXLPAOGL-QJOPWCIASA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O[C@H]1CC2C([C@@]1(C)CC2)(C)C
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
308.145g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.436g/mol
Monoisotopic Mass:
308.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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