Isoquinoline-5-carboxylic acid - CAS 27810-64-6
Catalog: |
BB019675 |
Product Name: |
Isoquinoline-5-carboxylic acid |
CAS: |
27810-64-6 |
Synonyms: |
isoquinoline-5-carboxylic acid |
IUPAC Name: | isoquinoline-5-carboxylic acid |
Description: | Isoquinoline-5-carboxylic acid (CAS# 27810-64-6) is a useful research chemical. |
Molecular Weight: | 173.17 |
Molecular Formula: | C10H7NO2 |
Canonical SMILES: | C1=CC2=C(C=CN=C2)C(=C1)C(=O)O |
InChI: | InChI=1S/C10H7NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13) |
InChI Key: | ZIPLFLRGHZAXSJ-UHFFFAOYSA-N |
Boiling Point: | 60-62 ℃ / 11 mmHg |
Density: | 1.339 g/cm3 |
MDL: | MFCD03788744 |
LogP: | 1.93300 |
GHS Hazard Statement: | H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111995575-A | Preparation method of quinoline amide compound | 20200911 |
CN-111377934-A | Heterocyclic compound, preparation and application thereof | 20181229 |
WO-2020079205-A1 | New amino-pyrimidonyl-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 20181019 |
TW-202028188-A | New amino-pyrimidonyl-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 20181019 |
CN-113038990-A | Novel amino-pyrimidinone-piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them | 20181019 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Related Functional Groups
Carbonyl Compounds
Quinoline/Isoquinoline
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