| CAS Number | 849669-20-1 |
| Catalog Number | AG00G9XC(AGN-PC-09YC1Y) |
| Chemical Name | 3,3-Difluorocyclohexanecarboxylic Acid |
| IUPAC Name | 3,3-difluorocyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C7H10F2O2/c8-7(9)3-1-2-5(4-7)6(10)11/h5H,1-4H2,(H,10,11) |
| InChI Key | GSVZSOJKYXYXAX-UHFFFAOYSA-N |
| MDL Number | MFCD18910122 |
| Molecular Formula | C7H10F2O2 |
| Molecular Weight | 164.1499 |
| SMILES | O=C(C1CC(F)(F)CCC1)O |
| Synonyms | 3,3-Difluorocyclohexanecarboxylic acid,
849669-20-1,
3,3-difluorocyclohexane-1-carboxylic acid,
(1R)-3,3-difluorocyclohexane-1-carboxylic acid,
(S)-3,3-Difluorocyclohexane-1-carboxylic acid,
SCHEMBL4612651,
GSVZSOJKYXYXAX-UHFFFAOYSA-N,
2199500-65-5,
5,5-difluorocyclohexanecarboxylic acid,
AKOS023202549,
KS-7923,
F9994-0662,
Z1993522672,
N/A,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.152g/mol |
| Monoisotopic Mass | 164.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number