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Home > Indoles and Oxindole > 1444-94-6
1444-94-6 | 1H-Isoindole-1,3(2H)-dione, hexahydro-
CAS No: 1444-94-6 Catalog No: AG001JGP MDL No:MFCD00035737
Product Description
Catalog Number:
AG001JGP
Chemical Name:
1H-Isoindole-1,3(2H)-dione, hexahydro-
CAS Number:
1444-94-6
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD00035737
IUPAC Name:
3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
InChI:
InChI=1S/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)
InChI Key:
WLDMPODMCFGWAA-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2C1CCCC2
EC Number:
215-889-2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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