5-Cyano-1,3-benzenedicarboxylic acid - CAS 23341-13-1
Catalog: |
BB018012 |
Product Name: |
5-Cyano-1,3-benzenedicarboxylic acid |
CAS: |
23341-13-1 |
Synonyms: |
5-cyanobenzene-1,3-dicarboxylic acid |
IUPAC Name: | 5-cyanobenzene-1,3-dicarboxylic acid |
Description: | 5-Cyano-1,3-benzenedicarboxylic acid (CAS# 23341-13-1 ) is a useful research chemical. |
Molecular Weight: | 191.14 |
Molecular Formula: | C9H5NO4 |
Canonical SMILES: | C1=C(C=C(C=C1C(=O)O)C(=O)O)C#N |
InChI: | InChI=1S/C9H5NO4/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3H,(H,11,12)(H,13,14) |
InChI Key: | YKADUTAIRWMMFI-UHFFFAOYSA-N |
Boiling Point: | 454.6 °C at 760 mmHg |
Density: | 1.57 g/cm3 |
Appearance: | Solid |
MDL: | MFCD16621431 |
LogP: | 0.95468 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20200127963-A | A method for regulating the absorption and release of functional materials using metalorganic frameworks | 20201105 |
JP-2021145698-A | Deodorant antibacterial sheet and its manufacturing method | 20200316 |
JP-2021137242-A | Antistatic deodorant sheet and its manufacturing method | 20200304 |
JP-2021137697-A | Cyclic compound separation or purification methods, cyclic compound production methods, separators, and separators | 20200302 |
WO-2021172433-A1 | Metal-organic framework with carboxylic acid ion having terphenyl skeleton as ligand | 20200227 |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.02185764 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.02185764 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 98.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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