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83968-89-2 | 3H-Indolium, 1,2,3,3-tetramethyl-, phosphate (1:1)
CAS No: 83968-89-2 Catalog No: AG00523Z MDL No:
Product Description
Catalog Number:
AG00523Z
Chemical Name:
3H-Indolium, 1,2,3,3-tetramethyl-, phosphate (1:1)
CAS Number:
83968-89-2
Molecular Formula:
C12H18NO4P
Molecular Weight:
271.2494
IUPAC Name:
dihydrogen phosphate;1,2,3,3-tetramethylindol-1-ium
InChI:
InChI=1S/C12H16N.H3O4P/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-5(2,3)4/h5-8H,1-4H3;(H3,1,2,3,4)/q+1;/p-1
InChI Key:
IXFAGCSPMNGYDY-UHFFFAOYSA-M
SMILES:
[O-]P(=O)(O)O.C[N+]1=C(C)C(c2c1cccc2)(C)C
EC Number:
281-568-9
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.253g/mol
Monoisotopic Mass:
271.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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