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741687-50-3 | 1H-Pyrrole-2,5-dione, 1-[2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl]-
CAS No: 741687-50-3 Catalog No: AG005NY1 MDL No:
Product Description
Catalog Number:
AG005NY1
Chemical Name:
1H-Pyrrole-2,5-dione, 1-[2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl]-
CAS Number:
741687-50-3
Molecular Formula:
C15H14N2O3
Molecular Weight:
270.2833
IUPAC Name:
1-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrrole-2,5-dione
InChI:
InChI=1S/C15H14N2O3/c1-15(2)9-20-14(16-15)10-5-3-4-6-11(10)17-12(18)7-8-13(17)19/h3-8H,9H2,1-2H3
InChI Key:
RCGFDNGKQRJXLE-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1ccccc1C1=NC(CO1)(C)C
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.288g/mol
Monoisotopic Mass:
270.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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