| CAS Number | 2063-92-5 |
| Catalog Number | AG00IL2L(AGN-PC-0WOAAJ) |
| Chemical Name | 3-(benzyloxy)-2,2-dimethylcyclobutan-1-one |
| IUPAC Name | 2,2-dimethyl-3-phenylmethoxycyclobutan-1-one |
| InChI | InChI=1S/C13H16O2/c1-13(2)11(14)8-12(13)15-9-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3 |
| InChI Key | OQYCKJLAKYHLTP-UHFFFAOYSA-N |
| MDL Number | MFCD21755679 |
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.2649 |
| SMILES | CC1(C(=O)CC1OCC1=CC=CC=C1)C |
| Synonyms | 3-(benzyloxy)-2,2-dimethylcyclobutan-1-one,
2063-92-5,
SCHEMBL19580682,
MFCD21755679,
AKOS015711154,
NE17744,
SB22602,
2,2-Dimethyl-3-(benzyloxy)cyclobutanone,
AS-53881,
CS-0051718,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.269g/mol |
| Monoisotopic Mass | 204.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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