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89564-14-7 | Carbamic acid, (2-oxocyclohexyl)-2-thienyl-, 1,1-dimethylethyl ester
CAS No: 89564-14-7 Catalog No: AG003Y8Y MDL No:
Product Description
Catalog Number:
AG003Y8Y
Chemical Name:
Carbamic acid, (2-oxocyclohexyl)-2-thienyl-, 1,1-dimethylethyl ester
CAS Number:
89564-14-7
Molecular Formula:
C15H21NO3S
Molecular Weight:
295.3971
IUPAC Name:
tert-butyl N-(2-oxocyclohexyl)-N-thiophen-2-ylcarbamate
InChI:
InChI=1S/C15H21NO3S/c1-15(2,3)19-14(18)16(13-9-6-10-20-13)11-7-4-5-8-12(11)17/h6,9-11H,4-5,7-8H2,1-3H3
InChI Key:
FIATYXPHHLYFKK-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1N(c1cccs1)C(=O)OC(C)(C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.124g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.397g/mol
Monoisotopic Mass:
295.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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