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90719-26-9 | 2-Oxazolidinone, 4-(1-methylethyl)-3-(1-oxo-2-propenyl)-, (4S)-
CAS No: 90719-26-9 Catalog No: AG006MTH MDL No:
Product Description
Catalog Number:
AG006MTH
Chemical Name:
2-Oxazolidinone, 4-(1-methylethyl)-3-(1-oxo-2-propenyl)-, (4S)-
CAS Number:
90719-26-9
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
(4S)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C9H13NO3/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h4,6-7H,1,5H2,2-3H3/t7-/m1/s1
InChI Key:
IBOZASCWYRXCIQ-SSDOTTSWSA-N
SMILES:
C=CC(=O)N1C(=O)OC[C@@H]1C(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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