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1024015-36-8 | CarbaMic acid, N-[cis-4-[[(4-Methylphenyl)sulfonyl]oxy]cyclohexyl]-, 1,1-diMethylethyl ester
CAS No: 1024015-36-8 Catalog No: AG0007CY MDL No:
Product Description
Catalog Number:
AG0007CY
Chemical Name:
CarbaMic acid, N-[cis-4-[[(4-Methylphenyl)sulfonyl]oxy]cyclohexyl]-, 1,1-diMethylethyl ester
CAS Number:
1024015-36-8
Molecular Formula:
C18H27NO5S
Molecular Weight:
369.4757
IUPAC Name:
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C18H27NO5S/c1-13-5-11-16(12-6-13)25(21,22)24-15-9-7-14(8-10-15)19-17(20)23-18(2,3)4/h5-6,11-12,14-15H,7-10H2,1-4H3,(H,19,20)
InChI Key:
SVBOYWVVBMKJDS-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CC[C@@H](CC1)OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.161g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.476g/mol
Monoisotopic Mass:
369.161g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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