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204386-94-7 | 4-Oxazolidinecarboxylic acid, 3,5-dimethyl-2-oxo-, (4S,5R)-
CAS No: 204386-94-7 Catalog No: AG0029GP MDL No:
Product Description
Catalog Number:
AG0029GP
Chemical Name:
4-Oxazolidinecarboxylic acid, 3,5-dimethyl-2-oxo-, (4S,5R)-
CAS Number:
204386-94-7
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
IUPAC Name:
(4S,5R)-3,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
InChI:
InChI=1S/C6H9NO4/c1-3-4(5(8)9)7(2)6(10)11-3/h3-4H,1-2H3,(H,8,9)/t3-,4+/m1/s1
InChI Key:
FATBVUXOBIIMRE-DMTCNVIQSA-N
SMILES:
OC(=O)[C@@H]1[C@@H](C)OC(=O)N1C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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