| CAS Number | 103095-48-3 |
| Catalog Number | AG007I2Z(AGN-PC-0LWT8I) |
| Chemical Name | 4-Ethoxy-5-methoxy-2-nitrobenzoic acid |
| IUPAC Name | 4-ethoxy-5-methoxy-2-nitrobenzoic acid |
| InChI | InChI=1S/C10H11NO6/c1-3-17-9-5-7(11(14)15)6(10(12)13)4-8(9)16-2/h4-5H,3H2,1-2H3,(H,12,13) |
| InChI Key | GPTFBBVXZVBLEN-UHFFFAOYSA-N |
| MDL Number | MFCD07339246 |
| Molecular Formula | C10H11NO6 |
| Molecular Weight | 241.1974 |
| SMILES | O=C(O)C1=CC(OC)=C(OCC)C=C1[N+]([O-])=O |
| Synonyms | 4-ethoxy-5-methoxy-2-nitrobenzoic acid,
103095-48-3,
Benzoic acid,4-ethoxy-5-methoxy-2-nitro-,
AC1OFJRP,
ACMC-1BRUI,
AC1Q35UV,
CTK4A1736,
DTXSID40427853,
ZINC4218218,
AKOS008052501,
MCULE-6295621717,
NE32587,
RT-009652,
EN300-14299,
J-515270,
CID7130665,
4-ethoxy-5-methoxy-2-nitro-benzoic Acid,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.199g/mol |
| Monoisotopic Mass | 241.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number