| CAS Number | 153004-74-1 |
| Catalog Number | AG007J94(AGN-PC-0ND2E7) |
| Chemical Name | 2-[(3-Methyloxetan-3-yl)methyl]isoindole-1,3-dione |
| 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 |
| MDL Number | MFCD22574944 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.2472 |
| SMILES | O=C1N(CC2(C)COC2)C(=O)c2c1cccc2 |
| Synonyms | 153004-74-1,
2-[(3-methyloxetan-3-yl)methyl]isoindole-1,3-dione,
1H-Isoindole-1,3(2H)-dione, 2-[(3-methyl-3-oxetanyl)methyl]-,
2-((3-Methyloxetan-3-yl)methyl)isoindoline-1,3-dione,
ACMC-20n6kq,
SCHEMBL12817939,
CTK0E8107,
DTXSID30448875,
KM3828,
ZINC34570208,
CJ-18470,
N-(3-Methyloxetane-3-ylmethyl)phthalimide,
V3484,
2-[(3-Methyloxetan-3-yl)methyl]-1H-isoindole-1,3(2H)-dione,
C13H13NO3,
CID10933313,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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