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Home > Indoles and Oxindole > 153004-74-1
153004-74-1 | 1H-Isoindole-1,3(2H)-dione, 2-[(3-methyl-3-oxetanyl)methyl]-
CAS No: 153004-74-1 Catalog No: AG007J94 MDL No:MFCD22574944
Product Description
Catalog Number:
AG007J94
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(3-methyl-3-oxetanyl)methyl]-
CAS Number:
153004-74-1
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD22574944
IUPAC Name:
2-[(3-methyloxetan-3-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C13H13NO3/c1-13(7-17-8-13)6-14-11(15)9-4-2-3-5-10(9)12(14)16/h2-5H,6-8H2,1H3
InChI Key:
LURDIDJVEDPPTF-UHFFFAOYSA-N
SMILES:
O=C1N(CC2(C)COC2)C(=O)c2c1cccc2
Properties
Complexity:
338
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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