| CAS Number | 77841-63-5 |
| Catalog Number | AG019ZYX(AGN-PC-05WV5L) |
| Chemical Name | bicyclo[6.1.0]nonane-9-carboxylic acid |
| IUPAC Name | bicyclo[6.1.0]nonane-9-carboxylic acid |
| InChI | InChI=1S/C10H16O2/c11-10(12)9-7-5-3-1-2-4-6-8(7)9/h7-9H,1-6H2,(H,11,12) |
| InChI Key | XUKCHICEVHGMOO-UHFFFAOYSA-N |
| MDL Number | MFCD04038977 |
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.2328 |
| SMILES | OC(C1C2C1CCCCCC2)=O |
| Synonyms | bicyclo[6.1.0]nonane-9-carboxylic acid,
77841-63-5,
Bicyclo(6.1.0)nonane-9-carboxylic acid,
AC1L6YNU,
SCHEMBL301620,
CTK7I6440,
XUKCHICEVHGMOO-UHFFFAOYSA-N,
MFCD04038977,
AKOS004115437,
Z2588063700,
1008497-43-5,
CID301545,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.236g/mol |
| Monoisotopic Mass | 168.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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