| CAS Number | 108817-35-2 |
| Catalog Number | AG01AKUE(AGN-PC-002DG8) |
| Chemical Name | 1-chlorocyclopropane-1-carboxylic acid |
| IUPAC Name | 1-chlorocyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C4H5ClO2/c5-4(1-2-4)3(6)7/h1-2H2,(H,6,7) |
| InChI Key | RSSNICRIXPNUQK-UHFFFAOYSA-N |
| MDL Number | MFCD19228827 |
| Molecular Formula | C4H5ClO2 |
| Molecular Weight | 120.5343 |
| SMILES | O=C(C1(Cl)CC1)O |
| Synonyms | 1-chlorocyclopropane-1-carboxylic acid,
108817-35-2,
1-chlorocyclopropanecarboxylic acid,
SCHEMBL22324,
1-chlorocyclopropane-carboxylic,
RSSNICRIXPNUQK-UHFFFAOYSA-N,
ZINC34353839,
AKOS006378629,
AS-44074,
DA-17908,
SC-49481,
FT-0739602,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.532g/mol |
| Monoisotopic Mass | 119.998g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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