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Home > Indoles and Oxindole > 856830-89-2
856830-89-2 | 1H-ISOINDOLE-1,3(2H)-DIONE, 2-[(4-HYDROXY-3-METHYLPHENYL)METHYL]-
CAS No: 856830-89-2 Catalog No: AG0050I1 MDL No:
Product Description
Catalog Number:
AG0050I1
Chemical Name:
1H-ISOINDOLE-1,3(2H)-DIONE, 2-[(4-HYDROXY-3-METHYLPHENYL)METHYL]-
CAS Number:
856830-89-2
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
2-[(4-hydroxy-3-methylphenyl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H13NO3/c1-10-8-11(6-7-14(10)18)9-17-15(19)12-4-2-3-5-13(12)16(17)20/h2-8,18H,9H2,1H3
InChI Key:
TWDPPPFZOUWIKY-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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