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Home > Indoles and Oxindole > 58042-69-6
58042-69-6 | 2-(2,3-dihydro-1H-indol-6-ylmethyl)-1H-isoindole-1,3(2H)-dione
CAS No: 58042-69-6 Catalog No: AG00JGXS MDL No:MFCD03819495
Product Description
Catalog Number:
AG00JGXS
Chemical Name:
2-(2,3-dihydro-1H-indol-6-ylmethyl)-1H-isoindole-1,3(2H)-dione
CAS Number:
58042-69-6
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
MDL Number:
MFCD03819495
IUPAC Name:
2-(2,3-dihydro-1H-indol-6-ylmethyl)isoindole-1,3-dione
InChI:
InChI=1S/C17H14N2O2/c20-16-13-3-1-2-4-14(13)17(21)19(16)10-11-5-6-12-7-8-18-15(12)9-11/h1-6,9,18H,7-8,10H2
InChI Key:
ODKAHQFUNZXETB-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccc3c(c2)NCC3)C(=O)c2c1cccc2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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