| CAS Number | 1273567-26-2 |
| Catalog Number | AG00HROV(AGN-PC-0WNPY5) |
| Chemical Name | spiro[2.3]hexane-5-carboxylic acid |
| IUPAC Name | spiro[2.3]hexane-5-carboxylic acid |
| InChI | InChI=1S/C7H10O2/c8-6(9)5-3-7(4-5)1-2-7/h5H,1-4H2,(H,8,9) |
| InChI Key | CVBIZOAMGIAMEP-UHFFFAOYSA-N |
| MDL Number | MFCD18791195 |
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.1531 |
| SMILES | O=C(C(C1)CC21CC2)O |
| Synonyms | spiro[2.3]hexane-5-carboxylic acid,
1273567-26-2,
SCHEMBL17048783,
MFCD18791195,
ZINC78885426,
AKOS013567139,
SB18582,
AS-51340,
CS-0056861,
F2147-2883,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.155g/mol |
| Monoisotopic Mass | 126.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number