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Home > Indoles and Oxindole > 165253-28-1
165253-28-1 | 1H-Isoindole-1,3(2H)-dione, 2-[(tetrahydro-3-furanyl)methyl]-
CAS No: 165253-28-1 Catalog No: AG001W0T MDL No:
Product Description
Catalog Number:
AG001W0T
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(tetrahydro-3-furanyl)methyl]-
CAS Number:
165253-28-1
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
2-(oxolan-3-ylmethyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H13NO3/c15-12-10-3-1-2-4-11(10)13(16)14(12)7-9-5-6-17-8-9/h1-4,9H,5-8H2
InChI Key:
CSHFBXOJIQGULA-UHFFFAOYSA-N
SMILES:
O=C1N(CC2COCC2)C(=O)c2c1cccc2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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