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80867-06-7 | 1H-Inden-1-one,2-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-5-methoxy-
CAS No: 80867-06-7 Catalog No: AG0050TX MDL No:
Product Description
Catalog Number:
AG0050TX
Chemical Name:
1H-Inden-1-one,2-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-5-methoxy-
CAS Number:
80867-06-7
Molecular Formula:
C23H23NO2
Molecular Weight:
345.4342
IUPAC Name:
5-methoxy-2-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3H-inden-1-one
InChI:
InChI=1S/C23H23NO2/c1-23(2)19-7-5-6-8-20(19)24(3)21(23)12-9-15-13-16-14-17(26-4)10-11-18(16)22(15)25/h5-12,14H,13H2,1-4H3
InChI Key:
ZPOYEVJBRHNQGP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CC(=CC=C1N(C)c3c(C1(C)C)cccc3)C2=O
EC Number:
279-602-2
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.173g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.442g/mol
Monoisotopic Mass:
345.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.1
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