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113525-77-2 | 3-Oxazolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS No: 113525-77-2 Catalog No: AG0008WK MDL No:
Product Description
Catalog Number:
AG0008WK
Chemical Name:
3-Oxazolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS Number:
113525-77-2
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
IUPAC Name:
tert-butyl 2-oxo-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-4-5-12-6(9)10/h4-5H2,1-3H3
InChI Key:
CRAUFNQQYBRZGV-UHFFFAOYSA-N
SMILES:
O=C(N1CCOC1=O)OC(C)(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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