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Home > Indoles and Oxindole > 16077-10-4
16077-10-4 | 1H-Indole-2,3-dione, 5-methoxy-1-(phenylmethyl)-
CAS No: 16077-10-4 Catalog No: AG001VBL MDL No:MFCD18264347
Product Description
Catalog Number:
AG001VBL
Chemical Name:
1H-Indole-2,3-dione, 5-methoxy-1-(phenylmethyl)-
CAS Number:
16077-10-4
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
MDL Number:
MFCD18264347
IUPAC Name:
1-benzyl-5-methoxyindole-2,3-dione
InChI:
InChI=1S/C16H13NO3/c1-20-12-7-8-14-13(9-12)15(18)16(19)17(14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key:
ZBLQKVFGHHQVMS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1
Properties
Complexity:
389
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:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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