| CAS Number | 117194-00-0 |
| Catalog Number | AG000DWX(AGN-PC-0NBIYC) |
| Chemical Name | 2-formyl-N-methylbenzamide |
| IUPAC Name | 2-formyl-N-methylbenzamide |
| InChI | InChI=1S/C9H9NO2/c1-10-9(12)8-5-3-2-4-7(8)6-11/h2-6H,1H3,(H,10,12) |
| InChI Key | VWBDIKTZQBRUKW-UHFFFAOYSA-N |
| MDL Number | MFCD18824520 |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.1733 |
| SMILES | CNC(C1=C(C=O)C=CC=C1)=O |
| Synonyms | 2-Formyl-N-methylbenzamide,
117194-00-0,
Benzamide,2-formyl-N-methyl-,
Benzamide, 2-formyl-N-methyl-,
N-Methyl-2-formylbenzamide,
ACMC-1C87N,
SCHEMBL728983,
CTK4B0180,
DTXSID70445626,
AKOS022636561,
2-formyl-N-methyl-benzamide,
Benzamide, 2-formyl-N-methyl- (9CI),
CID10844741,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.176g/mol |
| Monoisotopic Mass | 163.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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-H315-H319-H335
|
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number