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Home > Indoles and Oxindole > 828923-45-1
828923-45-1 | 1H-Isoindolium, 2,3-dihydro-4-(hydroxymethyl)-2,2-dimethyl-, chloride
CAS No: 828923-45-1 Catalog No: AG004RX3 MDL No:
Product Description
Catalog Number:
AG004RX3
Chemical Name:
1H-Isoindolium, 2,3-dihydro-4-(hydroxymethyl)-2,2-dimethyl-, chloride
CAS Number:
828923-45-1
Molecular Formula:
C11H16ClNO
Molecular Weight:
213.7038
IUPAC Name:
(2,2-dimethyl-1,3-dihydroisoindol-2-ium-4-yl)methanol;chloride
InChI:
InChI=1S/C11H16NO.ClH/c1-12(2)6-9-4-3-5-10(8-13)11(9)7-12;/h3-5,13H,6-8H2,1-2H3;1H/q+1;/p-1
InChI Key:
FYXPPXPQRKQKNT-UHFFFAOYSA-M
SMILES:
OCc1cccc2c1C[N+](C2)(C)C.[Cl-]
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.705g/mol
Monoisotopic Mass:
213.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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