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Home > Indoles and Oxindole > 89313-74-6
89313-74-6 | 1H-Isoindol-1-one, 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-
CAS No: 89313-74-6 Catalog No: AG003YJ6 MDL No:
Product Description
Catalog Number:
AG003YJ6
Chemical Name:
1H-Isoindol-1-one, 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-
CAS Number:
89313-74-6
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-3H-isoindol-1-one
InChI:
InChI=1S/C15H11NO3/c17-15-12-4-2-1-3-10(12)8-16(15)11-5-6-13-14(7-11)19-9-18-13/h1-7H,8-9H2
InChI Key:
MELOBGGOLJKGAE-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2c1cccc2)c1ccc2c(c1)OCO2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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