| CAS Number | 90482-29-4 |
| Catalog Number | AG006P7A(AGN-PC-09RNP4) |
| Chemical Name | Cycloheptanecarboxylic acid, 4-oxo- |
| IUPAC Name | 4-oxocycloheptane-1-carboxylic acid |
| InChI | InChI=1S/C8H12O3/c9-7-3-1-2-6(4-5-7)8(10)11/h6H,1-5H2,(H,10,11) |
| InChI Key | TUHVNUTVSDQMJV-UHFFFAOYSA-N |
| MDL Number | MFCD11053707 |
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.1791 |
| SMILES | C(=O)(O)C1CCCC(=O)CC1 |
| Synonyms | 4-OXOCYCLOHEPTANECARBOXYLIC ACID,
90482-29-4,
4-Oxo-cycloheptanecarboxylic acid,
4-OXO-2-CARBOXYCYCLOHEPTANE,
4-OXOCYCLOHEPTANE-1-CARBOXYLIC ACID,
cycloheptanone-4-carboxylic acid,
DTXSID70695043,
ACT10546,
FCH887971,
MFCD11053707,
AKOS006306615,
AS-38194,
AX8099748,
FT-0647965,
X-3096,
3-oxocycloheptane-1-carboxylic acid,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.181g/mol |
| Monoisotopic Mass | 156.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number