| CAS Number | 22287-28-1 |
| Catalog Number | AG00CBSE(AGN-PC-0069IV) |
| Chemical Name | Bicyclo[1.1.1]pentane-1-carboxylic Acid |
| IUPAC Name | bicyclo[1.1.1]pentane-1-carboxylic acid |
| InChI | InChI=1S/C6H8O2/c7-5(8)6-1-4(2-6)3-6/h4H,1-3H2,(H,7,8) |
| InChI Key | ORCXPYPDHLVQFP-UHFFFAOYSA-N |
| MDL Number | MFCD19228106 |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.1265 |
| SMILES | C12(CC(C1)C2)C(=O)O |
| Synonyms | Bicyclo[1.1.1]pentane-1-carboxylic Acid,
22287-28-1,
bicyclo(1.1.1)pentane-1-carboxylic acid,
SCHEMBL8717720,
MFCD19228106,
ZINC34454763,
bicyclo(1,1,1)pentane-1-carboxylic,
AKOS006378583,
AKOS006387670,
SS-4732,
CS-0036907,
Z2581718462,
CID11297945,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.128g/mol |
| Monoisotopic Mass | 112.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
|
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number