| CAS Number | 10435-57-1 |
| Catalog Number | AG008XYJ(AGN-PC-00KIZL) |
| Chemical Name | 5-Cyanosalicylic acid |
| IUPAC Name | 5-cyano-2-hydroxybenzoic acid |
| InChI | InChI=1S/C8H5NO3/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,10H,(H,11,12) |
| InChI Key | XUNYRQCTAPBWCF-UHFFFAOYSA-N |
| MDL Number | MFCD16999178 |
| Molecular Formula | C8H5NO3 |
| Molecular Weight | 163.1302 |
| SMILES | O=C(O)C1=CC(C#N)=CC=C1O |
| Synonyms | 5-CYANO-2-HYDROXYBENZOIC ACID,
5-Cyanosalicylic acid,
10435-57-1,
Benzoic acid, 5-cyano-2-hydroxy-,
5-cyano salicylic acid,
SCHEMBL131551,
2-hydroxy-5-cyanobenzoic acid,
CTK0G6394,
DTXSID60515600,
XUNYRQCTAPBWCF-UHFFFAOYSA-N,
ZINC39375000,
AKOS022636503,
MB25595,
DB-009280,
FT-0705900,
Z1881599184,
5-cyano-salicylic acid,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.132g/mol |
| Monoisotopic Mass | 163.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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-H312-H315-H319-H332-H335
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Packing Group
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\N
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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\N
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Certificate of Analysis
Lot Number