3-Isoquinolinecarboxylic acid hydrate - CAS 207399-25-5
Catalog: |
BB016253 |
Product Name: |
3-Isoquinolinecarboxylic acid hydrate |
CAS: |
207399-25-5 |
Synonyms: |
isoquinoline-3-carboxylic acid;hydrate |
IUPAC Name: | isoquinoline-3-carboxylic acid;hydrate |
Description: | 3-Isoquinolinecarboxylic acid hydrate (CAS# 207399-25-5 ) is a useful research chemical. |
Molecular Weight: | 173.17 (anhydrous basis) |
Molecular Formula: | C10H7NO2 · xH2O |
Canonical SMILES: | C1=CC=C2C=NC(=CC2=C1)C(=O)O.O |
InChI: | InChI=1S/C10H7NO2.H2O/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-6H,(H,12,13);1H2 |
InChI Key: | IXFLTVWYYQIVRB-UHFFFAOYSA-N |
Boiling Point: | 366.4 °C at 760 mmHg |
Melting Point: | 166-168 °C |
Purity: | 95 % |
Appearance: | White powder |
MDL: | MFCD00167216 |
LogP: | 1.86870 |
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 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
EP-2970440-A1 | Selective uv crosslinking of peptides and functional moieties to immunoglobulins | 20130314 |
EP-2970440-B1 | Selective uv crosslinking of peptides and functional moieties to immunoglobulins | 20130314 |
US-2016022834-A1 | Selective uv crosslinking of peptides and functional moieties to immunoglobulins | 20130314 |
US-2019328896-A1 | Selective uv crosslinking of peptides and functional moieties to immunoglobulins | 20130314 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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