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Home > Indoles and Oxindole > 1803595-01-8
1803595-01-8 | 1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one hydrochloride
CAS No: 1803595-01-8 Catalog No: AG01BB5H MDL No:MFCD28505883
Product Description
Catalog Number:
AG01BB5H
Chemical Name:
1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one hydrochloride
CAS Number:
1803595-01-8
Molecular Formula:
C11H14ClNO
Molecular Weight:
211.6880
MDL Number:
MFCD28505883
IUPAC Name:
1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one;hydrochloride
InChI:
InChI=1S/C11H13NO.ClH/c1-2-11(13)8-3-4-9-6-12-7-10(9)5-8;/h3-5,12H,2,6-7H2,1H3;1H
InChI Key:
NXHDQMDXDKEQMA-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc2c(c1)CNC2.Cl
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.689g/mol
Monoisotopic Mass:
211.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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