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Home > Indoles and Oxindole > 6607-42-7
6607-42-7 | 1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-
CAS No: 6607-42-7 Catalog No: AG00H8KH MDL No:
Product Description
Catalog Number:
AG00H8KH
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-
CAS Number:
6607-42-7
Molecular Formula:
C20H15NO3
Molecular Weight:
317.3380
IUPAC Name:
3,3-bis(4-hydroxyphenyl)-2H-isoindol-1-one
InChI:
InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)18-4-2-1-3-17(18)19(24)21-20/h1-12,22-23H,(H,21,24)
InChI Key:
HZMZYKRMMFUPMU-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1(NC(=O)c2c1cccc2)c1ccc(cc1)O
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.344g/mol
Monoisotopic Mass:
317.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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