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Home > Indoles and Oxindole > 23869-91-2
23869-91-2 | 1H-Indole-2,6-dione, 3a-(3,4-dimethoxyphenyl)-3,3a,4,5-tetrahydro-
CAS No: 23869-91-2 Catalog No: AG006U9V MDL No:
Product Description
Catalog Number:
AG006U9V
Chemical Name:
1H-Indole-2,6-dione, 3a-(3,4-dimethoxyphenyl)-3,3a,4,5-tetrahydro-
CAS Number:
23869-91-2
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
IUPAC Name:
3a-(3,4-dimethoxyphenyl)-1,3,4,5-tetrahydroindole-2,6-dione
InChI:
InChI=1S/C16H17NO4/c1-20-12-4-3-10(7-13(12)21-2)16-6-5-11(18)8-14(16)17-15(19)9-16/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,19)
InChI Key:
XLWHUKGBJGVMPL-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C12CCC(=O)C=C2NC(=O)C1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.315g/mol
Monoisotopic Mass:
287.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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