| CAS Number | 681448-25-9 |
| Catalog Number | AG00FGIC(AGN-PC-0FQZ2H) |
| Chemical Name | (4,4-Dimethyl-cyclohexyl)-acetic acid |
| IUPAC Name | 2-(4,4-dimethylcyclohexyl)acetic acid |
| InChI | InChI=1S/C10H18O2/c1-10(2)5-3-8(4-6-10)7-9(11)12/h8H,3-7H2,1-2H3,(H,11,12) |
| InChI Key | HIQKOCLKQSNITC-UHFFFAOYSA-N |
| MDL Number | MFCD20319688 |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.2487 |
| SMILES | O=C(O)CC1CCC(C)(C)CC1 |
| Synonyms | 2-(4,4-dimethylcyclohexyl)acetic acid,
681448-25-9,
(4,4-dimethyl-cyclohexyl)-acetic acid,
SCHEMBL939927,
HIQKOCLKQSNITC-UHFFFAOYSA-N,
1125AJ,
ZINC70654424,
AKOS013740124,
Cyclohexaneacetic acid, 4,4-dimethyl-,
MCULE-5045016279,
NE20583,
AJ-117403,
A1-08459,
F8889-7242,
Z1495385260,
C10H18O2,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.252g/mol |
| Monoisotopic Mass | 170.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number