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131233-89-1 | 4-Oxazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-3-formyl-, methyl ester, (2S,4R)-
CAS No: 131233-89-1 Catalog No: AG000VSE MDL No:
Product Description
Catalog Number:
AG000VSE
Chemical Name:
4-Oxazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-3-formyl-, methyl ester, (2S,4R)-
CAS Number:
131233-89-1
Molecular Formula:
C10H17NO4
Molecular Weight:
215.2463
IUPAC Name:
methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
InChI:
InChI=1S/C10H17NO4/c1-10(2,3)9-11(6-12)7(5-15-9)8(13)14-4/h6-7,9H,5H2,1-4H3
InChI Key:
CUOGQSHIYFHDEM-UHFFFAOYSA-N
SMILES:
O=CN1[C@H](CO[C@H]1C(C)(C)C)C(=O)OC
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.249g/mol
Monoisotopic Mass:
215.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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