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1008773-73-6 | Cyclohexanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1S,3S)-
CAS No: 1008773-73-6 Catalog No: AG000336 MDL No:MFCD24471201
Product Description
Catalog Number:
AG000336
Chemical Name:
Cyclohexanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1S,3S)-
CAS Number:
1008773-73-6
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD24471201
IUPAC Name:
(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9-/m0/s1
InChI Key:
JSGHMGKJNZTKGF-IUCAKERBSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CCC[C@@H](C1)C(=O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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