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127913-32-0 | 4-Oxazolidinecarboxylic acid, 5-(1-methylethyl)-2-oxo-, (4S,5R)-
CAS No: 127913-32-0 Catalog No: AG000XKQ MDL No:
Product Description
Catalog Number:
AG000XKQ
Chemical Name:
4-Oxazolidinecarboxylic acid, 5-(1-methylethyl)-2-oxo-, (4S,5R)-
CAS Number:
127913-32-0
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
IUPAC Name:
(4S,5R)-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
InChI:
InChI=1S/C7H11NO4/c1-3(2)5-4(6(9)10)8-7(11)12-5/h3-5H,1-2H3,(H,8,11)(H,9,10)/t4-,5+/m0/s1
InChI Key:
SFEWQLMXSWYMJK-CRCLSJGQSA-N
SMILES:
O=C1O[C@@H]([C@H](N1)C(=O)O)C(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
173.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.168g/mol
Monoisotopic Mass:
173.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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