| CAS Number | 944677-75-2 |
| Catalog Number | AG01AB8A |
| Chemical Name | 2-(4-Formyl-2-nitrophenoxy)acetic acid |
| IUPAC Name | 2-(4-formyl-2-nitrophenoxy)acetic acid |
| InChI | InChI=1S/C9H7NO6/c11-4-6-1-2-8(16-5-9(12)13)7(3-6)10(14)15/h1-4H,5H2,(H,12,13) |
| InChI Key | TXWVISSJNXSOQX-UHFFFAOYSA-N |
| MDL Number | MFCD07429281 |
| Molecular Formula | C9H7NO6 |
| Molecular Weight | 225.1550 |
| SMILES | OC(COC1=C([N+]([O-])=O)C=C(C=O)C=C1)=O |
| Synonyms | 2-(4-formyl-2-nitrophenoxy)acetic acid,
944677-75-2,
AC1NHDLO,
SCHEMBL2555859,
ZINC20198604,
AKOS000286186,
MCULE-5644539302,
NE29797,
EN300-70767,
CID4763784,
2-(4-formyl-2-nitro-phenoxy)acetic Acid,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.156g/mol |
| Monoisotopic Mass | 225.027g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number