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Home > Indoles and Oxindole > 1248216-94-5
1248216-94-5 | 2-(2-oxopropyl)-2,3-dihydro-1H-isoindol-1-one
CAS No: 1248216-94-5 Catalog No: AG01BDV2 MDL No:MFCD16164315
Product Description
Catalog Number:
AG01BDV2
Chemical Name:
2-(2-oxopropyl)-2,3-dihydro-1H-isoindol-1-one
CAS Number:
1248216-94-5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD16164315
IUPAC Name:
2-(2-oxopropyl)-3H-isoindol-1-one
InChI:
InChI=1S/C11H11NO2/c1-8(13)6-12-7-9-4-2-3-5-10(9)11(12)14/h2-5H,6-7H2,1H3
InChI Key:
VOGQHWVHARAHPT-UHFFFAOYSA-N
SMILES:
CC(=O)CN1Cc2c(C1=O)cccc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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