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176693-28-0 | 5-Oxazolidinecarboxylic acid, 4-ethyl-2-oxo-, trans- (9CI)
CAS No: 176693-28-0 Catalog No: AG0024TB MDL No:MFCD18829002
Product Description
Catalog Number:
AG0024TB
Chemical Name:
5-Oxazolidinecarboxylic acid, 4-ethyl-2-oxo-, trans- (9CI)
CAS Number:
176693-28-0
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
MDL Number:
MFCD18829002
IUPAC Name:
(4S,5R)-4-ethyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
InChI:
InChI=1S/C6H9NO4/c1-2-3-4(5(8)9)11-6(10)7-3/h3-4H,2H2,1H3,(H,7,10)(H,8,9)/t3-,4+/m0/s1
InChI Key:
GHNFKDOHELJXIE-IUYQGCFVSA-N
SMILES:
CC[C@@H]1NC(=O)O[C@H]1C(=O)O
Properties
Complexity:
191
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:
2
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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