| CAS Number | 1955514-17-6 |
| Catalog Number | AG01B5HA |
| Chemical Name | 1,1-difluorospiro[2.3]hexane-5-carboxylic acid |
| IUPAC Name | 2,2-difluorospiro[2.3]hexane-5-carboxylic acid |
| InChI | InChI=1S/C7H8F2O2/c8-7(9)3-6(7)1-4(2-6)5(10)11/h4H,1-3H2,(H,10,11) |
| InChI Key | CSENACBSALYMRZ-UHFFFAOYSA-N |
| MDL Number | MFCD30002667 |
| Molecular Formula | C7H8F2O2 |
| Molecular Weight | 162.1340 |
| SMILES | OC(=O)C1CC2(C1)CC2(F)F |
| Synonyms | 1,1-difluorospiro[2.3]hexane-5-carboxylic acid,
1955514-17-6,
SCHEMBL16701216,
CSENACBSALYMRZ-UHFFFAOYSA-N,
AKOS026716765,
ZINC407985644,
CS-0067427,
F2147-3966,
rac-(3r,5r)-1,1-difluorospiro[2.3]hexane-5-carboxylic acid,
1773508-80-7,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.136g/mol |
| Monoisotopic Mass | 162.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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