| CAS Number | 56475-13-9 |
| Catalog Number | AG00ER5P(AGN-PC-0LCPF9) |
| Chemical Name | 2-Chlorocyclohex-1-ene-1-carboxylic acid |
| IUPAC Name | 2-chlorocyclohexene-1-carboxylic acid |
| InChI | InChI=1S/C7H9ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H2,(H,9,10) |
| InChI Key | ZODRKAXSGHOHFF-UHFFFAOYSA-N |
| MDL Number | MFCD05669849 |
| Molecular Formula | C7H9ClO2 |
| Molecular Weight | 160.5982 |
| SMILES | OC(C1CCCCC=1Cl)=O |
| Synonyms | 2-chlorocyclohex-1-ene-1-carboxylic acid,
56475-13-9,
2-chlorocyclohexene-1-carboxylic Acid,
AC1NC2IM,
AC1Q729H,
SCHEMBL8053401,
CTK5A5185,
KS-00003OIK,
DTXSID60403957,
ZINC4107728,
MFCD05669849,
2-Chlorocyclohex-1-enecarboxylic acid,
AKOS001280969,
MCULE-4191246644,
MS-2247,
NE54826,
2-chloro-1-cyclohexene-1-carboxylic acid,
EN300-24507,
2-CHLOROCYCLOHEX-1-ENE-1-CARBOXYLICACID,
F2124-0638,
CID4527166,
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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 | 160.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.597g/mol |
| Monoisotopic Mass | 160.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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