| CAS Number | 794520-18-6 |
| Catalog Number | AG01A216(AGN-PC-0WOBVR) |
| Chemical Name | 2-(4,4-Dimethylcyclohexylidene)acetic acid |
| IUPAC Name | 2-(4,4-dimethylcyclohexylidene)acetic acid |
| InChI | InChI=1S/C10H16O2/c1-10(2)5-3-8(4-6-10)7-9(11)12/h7H,3-6H2,1-2H3,(H,11,12) |
| InChI Key | JFTMZHPNOBLDON-UHFFFAOYSA-N |
| MDL Number | MFCD20319685 |
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.2328 |
| SMILES | CC1(CC/C(=C/C(O)=O)/CC1)C |
| Synonyms | 2-(4,4-dimethylcyclohexylidene)acetic acid,
794520-18-6,
SCHEMBL5677274,
ZINC70654421,
AKOS013739936,
MCULE-5583031618,
NE30843,
SB13649,
2-(4,4-dimethylcyclohexylidene)aceticacid,
Z1495385258,
|
| Complexity | 202 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number