| CAS Number | 25672-31-5 |
| Catalog Number | AG00BERV(AGN-PC-0WB4O7) |
| Chemical Name | 2-(2-Formyl-6-methoxy-4-nitrophenoxy)acetic acid |
| IUPAC Name | 2-(2-formyl-6-methoxy-4-nitrophenoxy)acetic acid |
| InChI | InChI=1S/C10H9NO7/c1-17-8-3-7(11(15)16)2-6(4-12)10(8)18-5-9(13)14/h2-4H,5H2,1H3,(H,13,14) |
| InChI Key | OJPOLKGDNZXQPS-UHFFFAOYSA-N |
| MDL Number | MFCD05625238 |
| Molecular Formula | C10H9NO7 |
| Molecular Weight | 255.1810 |
| SMILES | [N+](=O)([O-])C1C=C(C=O)C(=C(OC)C=1)OCC(O)=O |
| Synonyms | 25672-31-5,
2-(2-formyl-6-methoxy-4-nitrophenoxy)acetic acid,
(2-FORMYL-6-METHOXY-4-NITROPHENOXY)ACETIC ACID,
CHEMBRDG-BB 6742514,
AC1MVDT3,
CTK4F6254,
DTXSID10394967,
SP444,
ZINC2546067,
ZX-CM016976,
MFCD05625238,
STL380948,
AKOS000113789,
MCULE-9379900842,
ACM25672315,
AJ-39333,
Y-1736,
CID3681689,
2-(2-formyl-6-methoxy-4-nitro-phenoxy)acetic Acid,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.182g/mol |
| Monoisotopic Mass | 255.038g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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