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Home > Indoles and Oxindole > 1159822-61-3
1159822-61-3 | 1H-Isoindole, 2,3-dihydro-5-methoxy-, hydrochloride (1:1)
CAS No: 1159822-61-3 Catalog No: AG000HBA MDL No:MFCD09997806
Product Description
Catalog Number:
AG000HBA
Chemical Name:
1H-Isoindole, 2,3-dihydro-5-methoxy-, hydrochloride (1:1)
CAS Number:
1159822-61-3
Molecular Formula:
C9H12ClNO
Molecular Weight:
185.6507
MDL Number:
MFCD09997806
IUPAC Name:
5-methoxy-2,3-dihydro-1H-isoindole;hydrochloride
InChI:
InChI=1S/C9H11NO.ClH/c1-11-9-3-2-7-5-10-6-8(7)4-9;/h2-4,10H,5-6H2,1H3;1H
InChI Key:
KXUMTVFTWNZMDR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CNC2.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.651g/mol
Monoisotopic Mass:
185.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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