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140380-40-1 | 1H-Pyrrole-2,5-dione, 1-[4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-
CAS No: 140380-40-1 Catalog No: AG001CBN MDL No:
Product Description
Catalog Number:
AG001CBN
Chemical Name:
1H-Pyrrole-2,5-dione, 1-[4-[2-(4-hydroxyphenyl)ethenyl]phenyl]-
CAS Number:
140380-40-1
Molecular Formula:
C18H13NO3
Molecular Weight:
291.3007
IUPAC Name:
1-[4-[2-(4-hydroxyphenyl)ethenyl]phenyl]pyrrole-2,5-dione
InChI:
InChI=1S/C18H13NO3/c20-16-9-5-14(6-10-16)2-1-13-3-7-15(8-4-13)19-17(21)11-12-18(19)22/h1-12,20H
InChI Key:
PGXKCFJFDWDKOB-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1ccc(cc1)C=Cc1ccc(cc1)O
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.306g/mol
Monoisotopic Mass:
291.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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