| CAS Number | 61471-43-0 |
| Catalog Number | AG00F4RG(AGN-PC-0KC7I8) |
| Chemical Name | 4-[(Methoxyimino)Methyl]Benzoic Acid |
| IUPAC Name | 4-(methoxyiminomethyl)benzoic acid |
| InChI | InChI=1S/C9H9NO3/c1-13-10-6-7-2-4-8(5-3-7)9(11)12/h2-6H,1H3,(H,11,12) |
| InChI Key | GOJYSIUTEMBHIG-UHFFFAOYSA-N |
| MDL Number | MFCD05262734 |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.1727 |
| SMILES | CON=CC1=CC=C(C(O)=O)C=C1 |
| Synonyms | Benzoic acid, 4-[(methoxyimino)methyl]-,
61471-43-0,
4-(methoxyiminomethyl)benzoic Acid,
AC1M1WRN,
SCHEMBL6871655,
CTK2D9231,
DTXSID70366544,
AKOS030748312,
MCULE-3416206690,
4-[(methoxyimino)methyl]benzoic acid,
4-((Methoxyimino)methyl)benzoic acid,
CID2106592,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.175g/mol |
| Monoisotopic Mass | 179.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number