3-Ethoxy-4-nitrobenzoic Acid - CAS 367501-32-4
Catalog: |
BB023062 |
Product Name: |
3-Ethoxy-4-nitrobenzoic Acid |
CAS: |
367501-32-4 |
Synonyms: |
3-ethoxy-4-nitrobenzoic acid; 3-ethoxy-4-nitrobenzoic acid |
IUPAC Name: | 3-ethoxy-4-nitrobenzoic acid |
Description: | 3-Ethoxy-4-nitrobenzoic Acid (CAS# 367501-32-4) is a useful research chemical. |
Molecular Weight: | 211.17 |
Molecular Formula: | C9H9NO5 |
Canonical SMILES: | CCOC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9NO5/c1-2-15-8-5-6(9(11)12)3-4-7(8)10(13)14/h3-5H,2H2,1H3,(H,11,12) |
InChI Key: | ZWPRGHWABASJLH-UHFFFAOYSA-N |
LogP: | 2.21490 |
Publication Number | Title | Priority Date |
CN-105801582-A | Novel dihydro pteridinone derivative, preparing method thereof and application to medicine | 20160412 |
AU-2015243694-A1 | (5,6-dihydro)pyrimido(4,5-e)indolizines | 20140407 |
AU-2015243694-B2 | (5,6-dihydro)pyrimido(4,5-e)indolizines | 20140407 |
CA-2944610-A1 | (5,6-dihydro)pyrimido[4,5-e]indolizines | 20140407 |
DK-3129374-T3 | (5,6-dihydro) pyrimido [4,5-e] INDOLIZINER | 20140407 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.04807239 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.04807239 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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