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Home > Indoles and Oxindole > 18525-25-2
18525-25-2 | 3-(2-Ammonioethyl)-5-hydroxy-1H-indolium maleate
CAS No: 18525-25-2 Catalog No: AG007TLE MDL No:
Product Description
Catalog Number:
AG007TLE
Chemical Name:
3-(2-Ammonioethyl)-5-hydroxy-1H-indolium maleate
CAS Number:
18525-25-2
Molecular Formula:
C14H16N2O5
Molecular Weight:
292.2872
IUPAC Name:
3-(2-aminoethyl)-1H-indol-5-ol;(Z)-but-2-enedioic acid
InChI:
InChI=1S/C10H12N2O.C4H4O4/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;5-3(6)1-2-4(7)8/h1-2,5-6,12-13H,3-4,11H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
LTEXAUVYLLADEB-BTJKTKAUSA-N
SMILES:
[O-]C(=O)/C=C\C(=O)[O-].[NH3+]CCC1=C[NH2+]c2c1cc(O)cc2
EC Number:
242-399-6
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
292.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
292.291g/mol
Monoisotopic Mass:
292.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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