CAS 63987-74-6 1-Benzyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid (HCID 18179616)

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Basic information

CAS: 63987-74-6
Standard SMILES: O=C(O)c1ccn(Cc2ccccc2)c(=O)c1
InChIKey: DBDXICAOJOTYBI-UHFFFAOYSA-N
Molecular formula: C13H11NO3
Average molar mass: 229.23 g/mol
Monoisotopic mass: 229.07389321

Names & identifiers

Preferred name: 1-Benzyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
IUPAC: 1-benzyl-2-oxopyridine-4-carboxylic acid
English name: 1-Benzyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
Molecular formula: C13H11NO3
Molecular weight: 229.23

Names & synonyms

63987-74-61-BENZYL-2-OXO-1,2-DIHYDROPYRIDINE-4-CARBOXYLIC ACIDDTXSID60592613RefChem:227969DTXCID105433771-BENZYL-2-OXOPYRIDINE-4-CARBOXYLIC ACIDMFCD077720061-Benzyl-2-oxo-1,2-dihydropyridine-4-carboxylicacid1-benzyl-2-oxo-pyridine-4-carboxylic acid4-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-1-(phenylmethyl)-SCHEMBL1255936DBDXICAOJOTYBI-UHFFFAOYSA-N

Show more names

1-benzyl-2-oxopyridine-4-carboxylicaci1-BENZYL-2-OXO-1,2-DIHYDROPYRIDINE-4-CARBOXYLIC ACID ISO 9001：2015 REACH

AC1289AKOS017559603CS-11646DA-29775SY027254EN300-3145105F8224291-Benzyl-2-oxo-12-dihydropyridine-4-carboxylic Acid

Database identifiers

CAS: 63987-74-6
PubChem CID: 18179616
DTXSID: DTXSID60592613
EC Number: 990-185-2

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 378

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.