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Home > Indoles and Oxindole > 689757-37-7
689757-37-7 | 1-(3-methylbenzyl)-1H-indole-2,3-dione
CAS No: 689757-37-7 Catalog No: AG00J5OE MDL No:MFCD03837104
Product Description
Catalog Number:
AG00J5OE
Chemical Name:
1-(3-methylbenzyl)-1H-indole-2,3-dione
CAS Number:
689757-37-7
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD03837104
IUPAC Name:
1-[(3-methylphenyl)methyl]indole-2,3-dione
InChI:
InChI=1S/C16H13NO2/c1-11-5-4-6-12(9-11)10-17-14-8-3-2-7-13(14)15(18)16(17)19/h2-9H,10H2,1H3
InChI Key:
XBAJEXBOWXGXSQ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)CN1C(=O)C(=O)c2c1cccc2
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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