| CAS Number | 58469-03-7 |
| Catalog Number | AG00EEED(AGN-PC-0NJCLO) |
| Chemical Name | Methyl 1-phenylcyclobutane-1-carboxylate |
| IUPAC Name | methyl 1-phenylcyclobutane-1-carboxylate |
| InChI | InChI=1S/C12H14O2/c1-14-11(13)12(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3 |
| InChI Key | XGGOKJRFMJCJLR-UHFFFAOYSA-N |
| MDL Number | MFCD11035753 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | COC(=O)C1(CCC1)C2=CC=CC=C2 |
| Synonyms | Methyl 1-phenylcyclobutane-1-carboxylate,
58469-03-7,
METHYL 1-PHENYLCYCLOBUTANECARBOXYLATE,
SCHEMBL2481767,
CTK6I7928,
DTXSID10501952,
6069AE,
MFCD11035753,
ZINC15022158,
AKOS026675473,
MCULE-1917532871,
PS-3878,
1-(Methoxycarbonyl)-1-phenylcyclobutane,
KS-00002A22,
C12H14O2,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number