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Home > Indoles and Oxindole > 113679-36-0
113679-36-0 | 1H-Indolium, 2,3-dihydro-5,6-dihydroxy-1,1-dimethyl-, chloride (1:1)
CAS No: 113679-36-0 Catalog No: AG0009AC MDL No:
Product Description
Catalog Number:
AG0009AC
Chemical Name:
1H-Indolium, 2,3-dihydro-5,6-dihydroxy-1,1-dimethyl-, chloride (1:1)
CAS Number:
113679-36-0
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
IUPAC Name:
1,1-dimethyl-2,3-dihydroindol-1-ium-5,6-diol;chloride
InChI:
InChI=1S/C10H13NO2.ClH/c1-11(2)4-3-7-5-9(12)10(13)6-8(7)11;/h5-6H,3-4H2,1-2H3,(H-,12,13);1H
InChI Key:
LFXZKXRSCHKXTR-UHFFFAOYSA-N
SMILES:
Oc1cc2CC[N+](c2cc1O)(C)C.[Cl-]
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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