3,4-Dehydro-4-oxo-7-quinzolinecarboxylic acid - CAS 202197-73-7
Catalog: |
BB050190 |
Product Name: |
3,4-Dehydro-4-oxo-7-quinzolinecarboxylic acid |
CAS: |
202197-73-7 |
Synonyms: |
3,4-Dihydro-4-oxoquinazoline-7-carboxylic acid; 4-oxo-1H-quinazoline-7-carboxylic acid; 4-Oxo-3,4-dihydroquinazoline-7-carboxylic acid; 7-Quinazolinecarboxylic acid, 1,4-dihydro-4-oxo- |
IUPAC Name: | 4-oxo-3H-quinazoline-7-carboxylic acid |
Description: | 3,4-Dehydro-4-oxo-7-quinzolinecarboxylic acid (CAS# 202197-73-7 ) is a useful research chemical. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H6N2O3 |
Canonical SMILES: | C1=CC2=C(C=C1C(=O)O)N=CNC2=O |
InChI: | InChI=1S/C9H6N2O3/c12-8-6-2-1-5(9(13)14)3-7(6)10-4-11-8/h1-4H,(H,13,14)(H,10,11,12) |
InChI Key: | ICASWNVSUDFGRH-UHFFFAOYSA-N |
Boiling Point: | 449.2±47.0 °C (Predicted) |
Melting Point: | >300 °C |
Purity: | ≥ 95 % |
Density: | 1.56±0.1 g/cm3 (Predicted) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 300 |
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: | 0.2 |
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