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113336-10-0 | 1H-Isoindole-1,3(2H)-dione, 2-(benzoyloxy)-3a,4,7,7a-tetrahydro-
CAS No: 113336-10-0 Catalog No: AG007SLE MDL No:
Product Description
Catalog Number:
AG007SLE
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(benzoyloxy)-3a,4,7,7a-tetrahydro-
CAS Number:
113336-10-0
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
IUPAC Name:
(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl) benzoate
InChI:
InChI=1S/C15H13NO4/c17-13-11-8-4-5-9-12(11)14(18)16(13)20-15(19)10-6-2-1-3-7-10/h1-7,11-12H,8-9H2
InChI Key:
LNXLACOYXZUHGV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)ON1C(=O)C2C(C1=O)CC=CC2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.272g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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