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1140502-97-1 | 4-Morpholinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS No: 1140502-97-1 Catalog No: AG000AF5 MDL No:MFCD28098563
Product Description
Catalog Number:
AG000AF5
Chemical Name:
4-Morpholinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS Number:
1140502-97-1
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD28098563
IUPAC Name:
tert-butyl 2-oxomorpholine-4-carboxylate
InChI:
InChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-4-5-13-7(11)6-10/h4-6H2,1-3H3
InChI Key:
PDZLTNQMFWCEJQ-UHFFFAOYSA-N
SMILES:
O=C1OCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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