| CAS Number | 227203-34-1 |
| Catalog Number | AG00BOHD(AGN-PC-03SY4R) |
| Chemical Name | Cyclohexanecarboxylic acid, 1-cyano- (9CI) |
| IUPAC Name | 1-cyanocyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C8H11NO2/c9-6-8(7(10)11)4-2-1-3-5-8/h1-5H2,(H,10,11) |
| InChI Key | ISEJXQAAWBXLGB-UHFFFAOYSA-N |
| MDL Number | MFCD02317148 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | O=C(C1(C#N)CCCCC1)O |
| Synonyms | 1-cyanocyclohexane-1-carboxylic acid,
227203-34-1,
1-Cyanocyclohexanecarboxylic acid,
Cyclohexanecarboxylic acid, 1-cyano- (9CI),
SCHEMBL2275815,
CTK1A0263,
DTXSID10627227,
AC1Q7209,
Cyclohexanecarboxylicacid, 1-cyano-,
ZINC20433043,
AKOS008118254,
MCULE-2346110250,
NE12095,
EN300-54675,
AB01004109-01,
Z823291778,
Cyclohexanecarboxylicacid,1-cyano-,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.181g/mol |
| Monoisotopic Mass | 153.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number