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19190-97-7 | 2-Oxazolidinone, 4,5-dimethyl-, cis- (8CI,9CI)
CAS No: 19190-97-7 Catalog No: AG002FJX MDL No:
Product Description
Catalog Number:
AG002FJX
Chemical Name:
2-Oxazolidinone, 4,5-dimethyl-, cis- (8CI,9CI)
CAS Number:
19190-97-7
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
IUPAC Name:
(4S,5R)-4,5-dimethyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C5H9NO2/c1-3-4(2)8-5(7)6-3/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1
InChI Key:
DXRZFYKVFKAPCE-IUYQGCFVSA-N
SMILES:
O=C1O[C@@H]([C@@H](N1)C)C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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