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27713-85-5 | Cyclopentanone, 2,5-bis[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-
CAS No: 27713-85-5 Catalog No: AG002UKS MDL No:
Product Description
Catalog Number:
AG002UKS
Chemical Name:
Cyclopentanone, 2,5-bis[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-
CAS Number:
27713-85-5
Molecular Formula:
C31H34N2O
Molecular Weight:
450.6145
IUPAC Name:
(2E,5E)-2,5-bis[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentan-1-one
InChI:
InChI=1S/C31H34N2O/c1-30(2)23-11-7-9-13-25(23)32(5)27(30)19-17-21-15-16-22(29(21)34)18-20-28-31(3,4)24-12-8-10-14-26(24)33(28)6/h7-14,17-20H,15-16H2,1-6H3/b21-17+,22-18+,27-19+,28-20+
InChI Key:
SIWKBGVGJRAPKY-YMAQYZRWSA-N
SMILES:
O=C1C(=CC=C2N(C)c3c(C2(C)C)cccc3)CCC1=CC=C1N(C)c2c(C1(C)C)cccc2
Properties
Complexity:
886
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
450.267g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.626g/mol
Monoisotopic Mass:
450.267g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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