| CAS Number | 926192-06-5 |
| Catalog Number | AG01A8KB |
| Chemical Name | 1-(3-Methoxy-4-methylphenyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C13H16O3/c1-9-4-5-10(8-11(9)16-2)13(12(14)15)6-3-7-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,15) |
| InChI Key | SHJPZELYOPLLSZ-UHFFFAOYSA-N |
| MDL Number | MFCD08443534 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | COC1=C(C)C=CC(C2(C(O)=O)CCC2)=C1 |
| Synonyms | 1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxylic acid,
926192-06-5,
1-(3-METHOXY-4-METHYLPHENYL)CYCLOBUTANECARBOXYLIC ACID,
AC1Q44PM,
CTK6J6736,
ZINC21953225,
AKOS000126276,
MCULE-2711698429,
NE42325,
SY181771,
EN300-61821,
MFCD08443534 (95%),
Z1259161832,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.268g/mol |
| Monoisotopic Mass | 220.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number