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Home > Indoles and Oxindole > 921615-29-4
921615-29-4 | 3H-Indolium, 5-(diethoxyphosphinyl)-1-ethyl-2,3,3-trimethyl-
CAS No: 921615-29-4 Catalog No: AG006HAS MDL No:
Product Description
Catalog Number:
AG006HAS
Chemical Name:
3H-Indolium, 5-(diethoxyphosphinyl)-1-ethyl-2,3,3-trimethyl-
CAS Number:
921615-29-4
Molecular Formula:
C17H27NO3P+
Molecular Weight:
324.3749
IUPAC Name:
5-diethoxyphosphoryl-1-ethyl-2,3,3-trimethylindol-1-ium
InChI:
InChI=1S/C17H27NO3P/c1-7-18-13(4)17(5,6)15-12-14(10-11-16(15)18)22(19,20-8-2)21-9-3/h10-12H,7-9H2,1-6H3/q+1
InChI Key:
WKCXGFCBQLPFTL-UHFFFAOYSA-N
SMILES:
CCOP(=O)(c1ccc2c(c1)C(C)(C)C(=[N+]2CC)C)OCC
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.173g/mol
Formal Charge:
1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.381g/mol
Monoisotopic Mass:
324.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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