Ethyl 3-Methyl-4-nitrobenzoate - CAS 30650-90-9
Catalog: |
BB020666 |
Product Name: |
Ethyl 3-Methyl-4-nitrobenzoate |
CAS: |
30650-90-9 |
Synonyms: |
3-methyl-4-nitrobenzoic acid ethyl ester; ethyl 3-methyl-4-nitrobenzoate |
IUPAC Name: | ethyl 3-methyl-4-nitrobenzoate |
Description: | Ethyl 3-Methyl-4-nitrobenzoate (CAS# 30650-90-9) is a useful research chemical. |
Molecular Weight: | 209.20 |
Molecular Formula: | C10H11NO4 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C |
InChI: | InChI=1S/C10H11NO4/c1-3-15-10(12)8-4-5-9(11(13)14)7(2)6-8/h4-6H,3H2,1-2H3 |
InChI Key: | OAXJZQMFWBIRKF-UHFFFAOYSA-N |
Boiling Point: | 331.3 ℃ at 760 mmHg |
Density: | 1.216 g/cm3 |
MDL: | MFCD00115804 |
LogP: | 2.60310 |
Publication Number | Title | Priority Date |
CN-113461952-A | Active oxygen response type self-degradation polymer and preparation method and application thereof | 20210630 |
CN-112441983-A | Benzimidazole substituted nitrobenzene-based compound and preparation method thereof | 20190829 |
AU-2017229129-A1 | Thiazolidinone compounds and use thereof | 20160307 |
CA-3015914-A1 | Thiazolidinone compounds and use thereof | 20160307 |
EP-3426246-A1 | Thiazolidinone compounds and use thereof | 20160307 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.06880783 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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