2-(Carboxymethyl)-4-nitrobenzoic Acid - CAS 39585-32-5
Catalog: |
BB024043 |
Product Name: |
2-(Carboxymethyl)-4-nitrobenzoic Acid |
CAS: |
39585-32-5 |
Synonyms: |
2-(carboxymethyl)-4-nitrobenzoic acid; 2-(carboxymethyl)-4-nitrobenzoic acid |
IUPAC Name: | 2-(carboxymethyl)-4-nitrobenzoic acid |
Description: | 2-(Carboxymethyl)-4-nitrobenzoic Acid (CAS# 39585-32-5) is a useful research chemical. |
Molecular Weight: | 225.15 |
Molecular Formula: | C9H7NO6 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])CC(=O)O)C(=O)O |
InChI: | InChI=1S/C9H7NO6/c11-8(12)4-5-3-6(10(15)16)1-2-7(5)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14) |
InChI Key: | CKXXWBQEZGLFMV-UHFFFAOYSA-N |
Boiling Point: | 497.5 °C at 760 mmHg |
Density: | 1.594 g/cm3 |
Appearance: | Cream powder |
MDL: | MFCD07782180 |
LogP: | 1.44330 |
Publication Number | Title | Priority Date |
WO-2021011796-A1 | Inhibitors of cyclin-dependent kinases | 20190717 |
AU-2017387801-A1 | Methods for the preparation of 6-aminoisoquinoline | 20161230 |
AU-2017387801-B2 | Methods for the preparation of 6-aminoisoquinoline | 20161230 |
CA-3048667-A1 | Methods for the preparation of 6-aminoisoquinoline | 20161230 |
EP-3562806-A1 | Methods for the preparation of 6-aminoisoquinoline | 20161230 |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.02733694 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.02733694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 120 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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