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1234616-81-9 | Cyclobutanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 1234616-81-9 Catalog No: AG000KMZ MDL No:MFCD17214364
Product Description
Catalog Number:
AG000KMZ
Chemical Name:
Cyclobutanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1234616-81-9
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
MDL Number:
MFCD17214364
IUPAC Name:
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
InChI:
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-8-5-7(6-8)9(13)15-4/h7-8H,5-6H2,1-4H3,(H,12,14)
InChI Key:
LJEVCFPGOOEUKG-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(C1)NC(=O)OC(C)(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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