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338795-02-1 | 3-acetyl-5-phenyl-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CAS No: 338795-02-1 Catalog No: AG00IRAZ MDL No:MFCD00665207
Product Description
Catalog Number:
AG00IRAZ
Chemical Name:
3-acetyl-5-phenyl-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CAS Number:
338795-02-1
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
MDL Number:
MFCD00665207
IUPAC Name:
3-acetyl-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
InChI:
InChI=1S/C13H10N2O4/c1-7(16)10-9-11(19-14-10)13(18)15(12(9)17)8-5-3-2-4-6-8/h2-6,9,11H,1H3
InChI Key:
BQNHIUFRNDICQV-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)C(=O)C2C1C(=NO2)C(=O)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.233g/mol
Monoisotopic Mass:
258.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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