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115378-31-9 | 3-Oxazolidinecarboxylic acid, 4-ethenyl-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R)-
CAS No: 115378-31-9 Catalog No: AG000GNW MDL No:MFCD18074306
Product Description
Catalog Number:
AG000GNW
Chemical Name:
3-Oxazolidinecarboxylic acid, 4-ethenyl-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R)-
CAS Number:
115378-31-9
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD18074306
IUPAC Name:
tert-butyl (4R)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-7-9-8-15-12(5,6)13(9)10(14)16-11(2,3)4/h7,9H,1,8H2,2-6H3/t9-/m1/s1
InChI Key:
SEDZCRLQHSPEFD-SECBINFHSA-N
SMILES:
C=C[C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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