5-Methoxy-2-nitrophenylacetic Acid - CAS 20876-29-3
Catalog: |
BB016369 |
Product Name: |
5-Methoxy-2-nitrophenylacetic Acid |
CAS: |
20876-29-3 |
Synonyms: |
2-(5-methoxy-2-nitrophenyl)acetic acid; 2-(5-methoxy-2-nitrophenyl)acetic acid |
IUPAC Name: | 2-(5-methoxy-2-nitrophenyl)acetic acid |
Description: | 5-Methoxy-2-nitrophenylacetic Acid (CAS# 20876-29-3) is a useful research chemical. |
Molecular Weight: | 211.17 |
Molecular Formula: | C9H9NO5 |
Canonical SMILES: | COC1=CC(=C(C=C1)[N+](=O)[O-])CC(=O)O |
InChI: | InChI=1S/C9H9NO5/c1-15-7-2-3-8(10(13)14)6(4-7)5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
InChI Key: | QBRHCFNZQWZEQM-UHFFFAOYSA-N |
Boiling Point: | 404.7 °C at 760 mmHg |
Density: | 1.382 g/cm3 |
MDL: | MFCD00047735 |
LogP: | 1.75370 |
Publication Number | Title | Priority Date |
CN-112047933-A | Quinazolinone USP7 inhibitor and preparation method and application thereof | 20201015 |
TW-201938170-A | Triazolobenzopyrene as a vasopressin V1a receptor antagonist | 20171215 |
WO-2019116324-A1 | Triazolobenzazepines as vasopressin v1a receptor antagonists | 20171215 |
AU-2018385724-A1 | Triazolobenzazepines as vasopressin V1a receptor antagonists | 20171215 |
BR-112020011880-A2 | compound, pharmaceutical and combination compositions, process for preparing a pharmaceutical composition, use of a compound, method for treating and / or preventing a disease or condition associated with v1a receptor function, and, combination. | 20171215 |
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: | 1.2 |
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