4-Quinazolone-2-carboxylic Acid - CAS 29113-34-6
Catalog: |
BB020099 |
Product Name: |
4-Quinazolone-2-carboxylic Acid |
CAS: |
29113-34-6 |
Synonyms: |
4-oxo-3H-quinazoline-2-carboxylic acid; 4-oxo-3H-quinazoline-2-carboxylic acid |
IUPAC Name: | 4-oxo-3H-quinazoline-2-carboxylic acid |
Description: | 4-Quinazolone-2-carboxylic Acid (CAS# 29113-34-6) is a useful research chemical compound. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H6N2O3 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)NC(=N2)C(=O)O |
InChI: | InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-7(11-8)9(13)14/h1-4H,(H,13,14)(H,10,11,12) |
InChI Key: | KVXWXOHXKMKMTR-UHFFFAOYSA-N |
Boiling Point: | 427.6 °C at 760 mmHg |
Density: | 1.56 g/cm3 |
MDL: | MFCD02059339 |
LogP: | 0.62130 |
Publication Number | Title | Priority Date |
CN-112390782-A | Compound for specifically enhancing spatial coupling degree of TRPV4-KCa2.3 complex and application thereof | 20201109 |
CN-110105291-A | 4- substitution -2- formamide quinazoline compounds and its preparation method and application | 20190612 |
WO-2019072785-A1 | PIPERAZINE DERIVATIVES AS MAGL INHIBITORS | 20171010 |
EP-3694840-A1 | Piperazine derivatives as magl inhibitors | 20171010 |
RU-2718913-C1 | Method of producing a compound for enhancing the cohesiveness of the complex substance trpv4-kca2.3 | 20170407 |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.03784206 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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