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Home > Indoles and Oxindole > 828923-46-2
828923-46-2 | 1H-Isoindolium, 2,2-diethyl-2,3-dihydro-4-(hydroxymethyl)-, chloride
CAS No: 828923-46-2 Catalog No: AG004VTS MDL No:
Product Description
Catalog Number:
AG004VTS
Chemical Name:
1H-Isoindolium, 2,2-diethyl-2,3-dihydro-4-(hydroxymethyl)-, chloride
CAS Number:
828923-46-2
Molecular Formula:
C13H20ClNO
Molecular Weight:
241.7570
IUPAC Name:
(2,2-diethyl-1,3-dihydroisoindol-2-ium-4-yl)methanol;chloride
InChI:
InChI=1S/C13H20NO.ClH/c1-3-14(4-2)8-11-6-5-7-12(10-15)13(11)9-14;/h5-7,15H,3-4,8-10H2,1-2H3;1H/q+1;/p-1
InChI Key:
HIUZMALSBFOGKK-UHFFFAOYSA-M
SMILES:
OCc1cccc2c1C[N+](C2)(CC)CC.[Cl-]
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.123g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.759g/mol
Monoisotopic Mass:
241.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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