6-cyclopropyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid - CAS 150190-28-6
Catalog: |
BB073050 |
Product Name: |
6-cyclopropyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid |
CAS: |
150190-28-6 |
Synonyms: |
6-cyclopropyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid; 2-cyclopropyl-6-oxo-1H-pyridine-4-carboxylic acid; 6-Cyclopropyl-2-oxo-1,2-dihydropyridine-4-carboxylicacid |
IUPAC Name: | 2-cyclopropyl-6-oxo-1H-pyridine-4-carboxylic acid |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | C1CC1C2=CC(=CC(=O)N2)C(=O)O |
InChI: | InChI=1S/C9H9NO3/c11-8-4-6(9(12)13)3-7(10-8)5-1-2-5/h3-5H,1-2H2,(H,10,11)(H,12,13) |
InChI Key: | SRFWIYLEHUULCU-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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