| CAS Number | 74650-11-6 |
| Catalog Number | AG00ICJL(AGN-PC-0WBSYY) |
| Chemical Name | (1R,2S)-2-Cyanocyclopropanecarboxylic acid |
| IUPAC Name | (1R,2S)-2-cyanocyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C5H5NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1H2,(H,7,8)/t3-,4-/m1/s1 |
| InChI Key | MFCBCXRMDAOFOT-QWWZWVQMSA-N |
| MDL Number | MFCD28501485 |
| Molecular Formula | C5H5NO2 |
| Molecular Weight | 111.0987 |
| SMILES | O=C([C@H]1[C@@H](C#N)C1)O |
| Synonyms | cis-2-Cyanocyclopropanecarboxylic acid,
74650-11-6,
cis-2-cyanocyclopropane-1-carboxylic acid,
(1R,2S)-2-Cyanocyclopropanecarboxylic acid,
SCHEMBL9836908,
MFCD28501485,
AKOS025396241,
ZINC118355462,
FCH3606491,
FCH3925373,
KS-0000052O,
AK173871,
AS-52294,
CS-0049742,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.1g/mol |
| Monoisotopic Mass | 111.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number