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Home > Indoles and Oxindole > 919800-48-9
919800-48-9 | 1H-Isoindol-1-one, 2,3-dihydro-2-methyl-4,7-bis(phenylmethoxy)-
CAS No: 919800-48-9 Catalog No: AG006GY4 MDL No:
Product Description
Catalog Number:
AG006GY4
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-2-methyl-4,7-bis(phenylmethoxy)-
CAS Number:
919800-48-9
Molecular Formula:
C23H21NO3
Molecular Weight:
359.4177
IUPAC Name:
2-methyl-4,7-bis(phenylmethoxy)-3H-isoindol-1-one
InChI:
InChI=1S/C23H21NO3/c1-24-14-19-20(26-15-17-8-4-2-5-9-17)12-13-21(22(19)23(24)25)27-16-18-10-6-3-7-11-18/h2-13H,14-16H2,1H3
InChI Key:
JIQVGIWEKWWFII-UHFFFAOYSA-N
SMILES:
CN1Cc2c(C1=O)c(OCc1ccccc1)ccc2OCc1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.152g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.425g/mol
Monoisotopic Mass:
359.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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