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129287-91-8 | Cyclobutanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxo-, ethyl ester
CAS No: 129287-91-8 Catalog No: AG000Z2H MDL No:MFCD18633152
Product Description
Catalog Number:
AG000Z2H
Chemical Name:
Cyclobutanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxo-, ethyl ester
CAS Number:
129287-91-8
Molecular Formula:
C12H19NO5
Molecular Weight:
257.2830
MDL Number:
MFCD18633152
IUPAC Name:
ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxocyclobutane-1-carboxylate
InChI:
InChI=1S/C12H19NO5/c1-5-17-9(15)12(6-8(14)7-12)13-10(16)18-11(2,3)4/h5-7H2,1-4H3,(H,13,16)
InChI Key:
DFSYSSVVPOGHSO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(NC(=O)OC(C)(C)C)CC(=O)C1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.286g/mol
Monoisotopic Mass:
257.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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