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647862-39-3 | 2,5-Cyclohexadiene-1,4-dione, 3,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-
CAS No: 647862-39-3 Catalog No: AG00H690 MDL No:
Product Description
Catalog Number:
AG00H690
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 3,5-dimethyl-2-(2-methyl-1H-indol-3-yl)-
CAS Number:
647862-39-3
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
3,5-dimethyl-2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C17H15NO2/c1-9-8-14(19)15(10(2)17(9)20)16-11(3)18-13-7-5-4-6-12(13)16/h4-8,18H,1-3H3
InChI Key:
UOCQPSCCXVQEEO-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)C(=O)C(=C1c1c(C)[nH]c2c1cccc2)C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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