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Home > Indoles and Oxindole > 1864057-89-5
1864057-89-5 | 2-(AZETIDIN-3-YL)-3A,4,7,7A-TETRAHYDRO-1H-ISOINDOLE-1,3(2H)-DIONE HYDROCH+
CAS No: 1864057-89-5 Catalog No: AG01ASZE MDL No:MFCD28016999
Product Description
Catalog Number:
AG01ASZE
Chemical Name:
2-(AZETIDIN-3-YL)-3A,4,7,7A-TETRAHYDRO-1H-ISOINDOLE-1,3(2H)-DIONE HYDROCH+
CAS Number:
1864057-89-5
Molecular Formula:
C11H15ClN2O2
Molecular Weight:
242.7020
MDL Number:
MFCD28016999
IUPAC Name:
2-(azetidin-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride
InChI:
InChI=1S/C11H14N2O2.ClH/c14-10-8-3-1-2-4-9(8)11(15)13(10)7-5-12-6-7;/h1-2,7-9,12H,3-6H2;1H
InChI Key:
VKWGYRYOZFQOAU-UHFFFAOYSA-N
SMILES:
O=C1N(C2CNC2)C(=O)C2C1CC=CC2.Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.703g/mol
Monoisotopic Mass:
242.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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