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Home > Indoles and Oxindole > 860611-32-1
860611-32-1 | 1-[6-(2,3-dihydro-1H-isoindol-2-yl)-2H-1,3-benzodioxol-5-yl]ethan-1-one
CAS No: 860611-32-1 Catalog No: AG00IN9J MDL No:MFCD03787373
Product Description
Catalog Number:
AG00IN9J
Chemical Name:
1-[6-(2,3-dihydro-1H-isoindol-2-yl)-2H-1,3-benzodioxol-5-yl]ethan-1-one
CAS Number:
860611-32-1
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
MDL Number:
MFCD03787373
IUPAC Name:
1-[6-(1,3-dihydroisoindol-2-yl)-1,3-benzodioxol-5-yl]ethanone
InChI:
InChI=1S/C17H15NO3/c1-11(19)14-6-16-17(21-10-20-16)7-15(14)18-8-12-4-2-3-5-13(12)9-18/h2-7H,8-10H2,1H3
InChI Key:
REEFMQPDRZRSSQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2OCOc2cc1N1Cc2c(C1)cccc2
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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