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90719-30-5 | (N-CROTONYL)-(4S)-ISOPROPYL-2-OXAZOLIDINONE
CAS No: 90719-30-5 Catalog No: AG006B1T MDL No:
Product Description
Catalog Number:
AG006B1T
Chemical Name:
(N-CROTONYL)-(4S)-ISOPROPYL-2-OXAZOLIDINONE
CAS Number:
90719-30-5
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
(4S)-4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H15NO3/c1-2-6-13(16)15-12(10-18-14(15)17)9-11-7-4-3-5-8-11/h2-8,12H,9-10H2,1H3/b6-2+/t12-/m0/s1
InChI Key:
UTZAFVPPWUIPBH-QSLRECBCSA-N
SMILES:
C/C=C/C(=O)N1C(=O)OC[C@@H]1C(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Didymin induces apoptosis through mitochondrial dysfunction and up-regulation of RKIP in human hepatoma cells. | Chemico-biological interactions 20170105 |
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