| CAS Number | 65862-01-3 |
| Catalog Number | AG00IBJ6(AGN-PC-0N4IH9) |
| Chemical Name | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-methyl- |
| IUPAC Name | 3-methylbicyclo[1.1.1]pentane-1-carboxylic acid |
| InChI | InChI=1S/C7H10O2/c1-6-2-7(3-6,4-6)5(8)9/h2-4H2,1H3,(H,8,9) |
| InChI Key | TUFJVYRDYWRNOL-UHFFFAOYSA-N |
| MDL Number | MFCD19228632 |
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.1531 |
| SMILES | CC12CC(C1)(C2)C(=O)O |
| Synonyms | 3-Methylbicyclo[1.1.1]pentane-1-carboxylic acid,
65862-01-3,
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-methyl-,
SCHEMBL13738157,
CTK1I1517,
DTXSID00439871,
TUFJVYRDYWRNOL-UHFFFAOYSA-N,
KS-000006CT,
FCH965078,
ZINC38864308,
AKOS006377863,
SB22185,
OR312451,
CS-0051246,
Bicyclo[1.1.1]entane-1-arboxylic acid, 3-ethyl-,
CID10441711,
1-methylbicyclo[1.1.1]pentane-3-carboxylic Acid,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.155g/mol |
| Monoisotopic Mass | 126.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number