Cinnoline-4-carboxylic acid - CAS 21905-86-2
Catalog: |
BB017200 |
Product Name: |
Cinnoline-4-carboxylic acid |
CAS: |
21905-86-2 |
Synonyms: |
cinnoline-4-carboxylic acid |
IUPAC Name: | cinnoline-4-carboxylic acid |
Description: | Cinnoline-4-carboxylic acid (CAS# 21905-86-2) is a useful research chemical. |
Molecular Weight: | 174.16 |
Molecular Formula: | C9H6N2O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CN=N2)C(=O)O |
InChI: | InChI=1S/C9H6N2O2/c12-9(13)7-5-10-11-8-4-2-1-3-6(7)8/h1-5H,(H,12,13) |
InChI Key: | ZKOMQFDQFTVPBZ-UHFFFAOYSA-N |
Boiling Point: | 423.7 °C at 760 mmHg |
Density: | 1.421 g/cm3 |
MDL: | MFCD00006813 |
LogP: | 1.32800 |
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 |
Publication Number | Title | Priority Date |
WO-2020164970-A1 | Cinnolinium compounds for use in a method of controlling unwanted plant growth | 20190211 |
CN-113423694-A | Cinnolinium compounds for use in a method for controlling unwanted plant growth | 20190211 |
US-2020192222-A1 | Resist composition and patterning process | 20181218 |
AU-2017387033-A1 | Metalloenzyme inhibitor compounds | 20161229 |
CA-3055292-A1 | Metalloenzyme inhibitor compounds | 20161229 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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