| CAS Number | 202737-37-9 |
| Catalog Number | AG01C0EX(AGN-PC-09ZIWW) |
| Chemical Name | 2-Phenylspiro[3.3]heptane-2-carboxylic acid |
| IUPAC Name | 2-phenylspiro[3.3]heptane-2-carboxylic acid |
| InChI | InChI=1S/C14H16O2/c15-12(16)14(11-5-2-1-3-6-11)9-13(10-14)7-4-8-13/h1-3,5-6H,4,7-10H2,(H,15,16) |
| InChI Key | GLAOKQHKICBDBX-UHFFFAOYSA-N |
| MDL Number | MFCD21120414 |
| Molecular Formula | C14H16O2 |
| Molecular Weight | 216.2756 |
| SMILES | OC(C1(C2=CC=CC=C2)CC2(CCC2)C1)=O |
| Synonyms | 2-phenylspiro[3.3]heptane-2-carboxylic acid,
202737-37-9,
SCHEMBL8110710,
MFCD21120414,
ZINC83174040,
AKOS014341262,
AS-43699,
F2147-4661,
Z2719320818,
N/A,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.28g/mol |
| Monoisotopic Mass | 216.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number