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139288-85-0 | 1H-Pyrrole-2,5-dione, 1-[4-hydroxy-3-(2-methyl-2-propen-1-yl)phenyl]-
CAS No: 139288-85-0 Catalog No: AG001AOE MDL No:
Product Description
Catalog Number:
AG001AOE
Chemical Name:
1H-Pyrrole-2,5-dione, 1-[4-hydroxy-3-(2-methyl-2-propen-1-yl)phenyl]-
CAS Number:
139288-85-0
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
1-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]pyrrole-2,5-dione
InChI:
InChI=1S/C14H13NO3/c1-9(2)7-10-8-11(3-4-12(10)16)15-13(17)5-6-14(15)18/h3-6,8,16H,1,7H2,2H3
InChI Key:
NSZACUBUCDKASS-UHFFFAOYSA-N
SMILES:
CC(=C)Cc1cc(ccc1O)N1C(=O)C=CC1=O
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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