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89143-12-4 | 1H-Pyrrole-2,5-dione, 1-(5-methyl-3-isoxazolyl)-
CAS No: 89143-12-4 Catalog No: AG003YXP MDL No:MFCD00661854
Product Description
Catalog Number:
AG003YXP
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(5-methyl-3-isoxazolyl)-
CAS Number:
89143-12-4
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD00661854
IUPAC Name:
1-(5-methyl-1,2-oxazol-3-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C8H6N2O3/c1-5-4-6(9-13-5)10-7(11)2-3-8(10)12/h2-4H,1H3
InChI Key:
OGTXKXDQFNORIF-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1noc(c1)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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