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Home > Indoles and Oxindole > 115610-20-3
115610-20-3 | 1H-Isoindole-1,3(2H)-dione, hexahydro-2-(2-hydroxyethyl)-
CAS No: 115610-20-3 Catalog No: AG000G9L MDL No:
Product Description
Catalog Number:
AG000G9L
Chemical Name:
1H-Isoindole-1,3(2H)-dione, hexahydro-2-(2-hydroxyethyl)-
CAS Number:
115610-20-3
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
2-(2-hydroxyethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
InChI:
InChI=1S/C10H15NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h7-8,12H,1-6H2
InChI Key:
OTIMBIMMWQMEON-UHFFFAOYSA-N
SMILES:
OCCN1C(=O)C2C(C1=O)CCCC2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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