AG00ALZM

185847-84-1 | Benzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate

AG00ALZM

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CAS Number	185847-84-1
Catalog Number	AG00ALZM(AGN-PC-007P97)
Chemical Name	Benzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
IUPAC Name	benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate
InChI	InChI=1S/C13H13NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2
InChI Key	OAKHYPNVCUHASC-UHFFFAOYSA-N
MDL Number	MFCD08437477
Molecular Formula	C13H13NO3
Molecular Weight	231.2472
SMILES	O=C(OCC=1C=CC=CC1)N2C=CC(=O)CC2
Synonyms	Benzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate, 185847-84-1, 4-Oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid benzyl ester, benzyl 4-oxo-1,2,3,4-tetrahydropyridine-1-carboxylate, Benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate, SCHEMBL3071662, CTK7G2706, DTXSID90463761, OAKHYPNVCUHASC-UHFFFAOYSA-N, ZX-RL003260, 9714AA, ANW-74757, MFCD08437477, ZINC26897408, AKOS015969439, EG-0027, FCH3592845, MCULE-3010006331, RP27959, SB11680, AJ-83115, DA-17762, OR303963, TC-163502, 4CH-005069, CS-0035499, FT-0730233, O67005, J-519812, 4-Oxo-3,4-dihydropyridine-1(2H)-carboxylic acid benzyl ester, C13H15NO3, CID11368235, SC-51718,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.09g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.251g/mol
Monoisotopic Mass	231.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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