AG00FFD2

6742-26-3 | Ethyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate

AG00FFD2

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CAS Number	6742-26-3
Catalog Number	AG00FFD2(AGN-PC-0D7UWF)
Chemical Name	Ethyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
IUPAC Name	ethyl 1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
InChI	InChI=1S/C13H14O3/c1-2-16-13(15)11-8-7-9-5-3-4-6-10(9)12(11)14/h3-6,11H,2,7-8H2,1H3
InChI Key	DOKKVPGOHCOXLC-UHFFFAOYSA-N
MDL Number	MFCD00973033
Molecular Formula	C13H14O3
Molecular Weight	218.2485
NSC Number	71870
SMILES	CCOC(=O)C1CCC2=C(C=CC=C2)C1=O
Synonyms	ethyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate, 6742-26-3, DOKKVPGOHCOXLC-UHFFFAOYSA-N, NSC71870, 2-ethoxycarbonyltetralone, 2-carboethoxy-1-tetralone, AC1L5JX7, 2-Ethoxycarbonyl-1-tetralone, SCHEMBL947365, AC1Q64Q0, CTK5C6151, DTXSID10290930, 0371AC, MFCD00973033, NSC-71870, AKOS011019224, DS-4596, MCULE-7298684959, AK110262, SC-53094, AB0072820, 1-Oxo-2-tetralincarboxylic acid ethyl ester, Ethyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carbox, ethyl 1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate, 1-oxo-2-ethyloxycarbonyl-1,2,3,4-tetrahydronaphthalene, ethyl 1,2,3,4-tetrahydro-l-oxo-2-naphthalenecarboxylate, ethyl 1,2,3,4-tetrahydro-1-oxo-2-naphthalenecarboxylate, Ethyl 1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate #, 1-oxo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid ethyl ester, 1-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid, ethyl ester, 2-naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-1-oxo-, ethyl ester, 2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-1-oxo-, ethyl ester, C13H14O3, AR-1I7965, CID251472, Ethyl1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate, 67869-60-7,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.094g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.252g/mol
Monoisotopic Mass	218.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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