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1253791-63-7 | Cyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, ethyl ester
CAS No: 1253791-63-7 Catalog No: AG000NKL MDL No:
Product Description
Catalog Number:
AG000NKL
Chemical Name:
Cyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, ethyl ester
CAS Number:
1253791-63-7
Molecular Formula:
C14H23NO5
Molecular Weight:
285.3361
IUPAC Name:
ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C14H23NO5/c1-5-19-11(17)14(8-6-10(16)7-9-14)15-12(18)20-13(2,3)4/h5-9H2,1-4H3,(H,15,18)
InChI Key:
GASNSLPKHBHJJV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCC(=O)CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.34g/mol
Monoisotopic Mass:
285.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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