| CAS Number | 27613-37-2 |
| Catalog Number | AG002U96(AGN-PC-0R3DHM) |
| Chemical Name | 2-Formyl-6-methylbenzonitrile |
| IUPAC Name | 2-formyl-6-methylbenzonitrile |
| InChI | InChI=1S/C9H7NO/c1-7-3-2-4-8(6-11)9(7)5-10/h2-4,6H,1H3 |
| InChI Key | INEMMACKKKQZAM-UHFFFAOYSA-N |
| MDL Number | MFCD16659619 |
| Molecular Formula | C9H7NO |
| Molecular Weight | 145.1580 |
| SMILES | N#CC1=C(C)C=CC=C1C=O |
| Synonyms | 2-Formyl-6-methylbenzonitrile,
27613-37-2,
2-Cyano-3-methylbenzaldehyde,
2-formyl-6-methyl-benzonitrile,
SCHEMBL18146016,
DTXSID10665442,
Benzonitrile, 2-formyl-6-methyl-,
ZINC39061537,
AKOS022176102,
2-FORMYL-6-METHYL BENZONITRILE,
FCH1170280,
AJ-97812,
SC-21354,
AX8159815,
Phthalaldehydonitrile,6-methyl-,
Phthalaldehydonitrile, 6-methyl- (8CI),
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.161g/mol |
| Monoisotopic Mass | 145.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338-P304+P340-P405
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UN Code
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Certificate of Analysis
Lot Number