| CAS Number | 52498-02-9 |
| Catalog Number | AG00DKPO(AGN-PC-009A67) |
| Chemical Name | 3-(4-METHOXYPHENYL)CYCLOBUTANONE |
| IUPAC Name | 3-(4-methoxyphenyl)cyclobutan-1-one |
| InChI | InChI=1S/C11H12O2/c1-13-11-4-2-8(3-5-11)9-6-10(12)7-9/h2-5,9H,6-7H2,1H3 |
| InChI Key | LXEFTIJELDKOQB-UHFFFAOYSA-N |
| MDL Number | MFCD11848455 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | COC1=CC=C(C=C1)C2CC(=O)C2 |
| Synonyms | 3-(4-methoxyphenyl)cyclobutan-1-one,
3-(4-Methoxyphenyl)cyclobutanone,
52498-02-9,
3-(p-Methoxyphenyl)cyclobutanone,
Cyclobutanone, 3-(4-methoxyphenyl)-,
SCHEMBL428339,
CTK1G2561,
DTXSID80466084,
LXEFTIJELDKOQB-UHFFFAOYSA-N,
ZINC72266315,
AKOS022182207,
SC-35905,
AJ-120896,
F8880-4520,
CID11446641,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number