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Home > Indoles and Oxindole > 83950-17-8
83950-17-8 | 2-[3-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)PROP-1-ENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM FORMATE
CAS No: 83950-17-8 Catalog No: AG004R5H MDL No:
Product Description
Catalog Number:
AG004R5H
Chemical Name:
2-[3-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)PROP-1-ENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM FORMATE
CAS Number:
83950-17-8
Molecular Formula:
C26H30N2O2
Molecular Weight:
402.5286
IUPAC Name:
1,3,3-trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole;formate
InChI:
InChI=1S/C25H29N2.CH2O2/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;2-1-3/h7-17H,1-6H3;1H,(H,2,3)/q+1;/p-1
InChI Key:
WMTBGJJRSWDWGU-UHFFFAOYSA-M
SMILES:
CN1c2ccccc2C(C1=CC=CC1=[N+](C)c2c(C1(C)C)cccc2)(C)C.[O-]C=O
EC Number:
281-470-6
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.231g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.538g/mol
Monoisotopic Mass:
402.231g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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