AG007G80

15442-73-6 | 2,6-Naphthalenedicarboxylicacid, 2,6-diethyl ester

AG007G80

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CAS Number	15442-73-6
Catalog Number	AG007G80(AGN-PC-03HJZ1)
Chemical Name	2,6-Naphthalenedicarboxylicacid, 2,6-diethyl ester
IUPAC Name	diethyl naphthalene-2,6-dicarboxylate
InChI	InChI=1S/C16H16O4/c1-3-19-15(17)13-7-5-12-10-14(16(18)20-4-2)8-6-11(12)9-13/h5-10H,3-4H2,1-2H3
InChI Key	CSNCOKSAYUDNIE-UHFFFAOYSA-N
MDL Number	MFCD30475487
Molecular Formula	C16H16O4
Molecular Weight	272.2958
SMILES	O=C(C1=CC=C2C=C(C(OCC)=O)C=CC2=C1)OCC
Synonyms	Diethyl naphthalene-2,6-dicarboxylate, 15442-73-6, 2,6-Naphthalenedicarboxylicacid, 2,6-diethyl ester, SCHEMBL707407, CTK4C8252, KS-00000TQ6, diethyl 2,6-naphthalenedicarboxylate, MFCD30475487, AKOS030632753, ZINC114432506, AK544504, DS-19316, CS-0059981, 2,6-Naphthalenedicarboxylic acid diethyl ester, DIETHYL-2,6-NAPHTHALENEDICARBOXYLATE,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.105g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	272.3g/mol
Monoisotopic Mass	272.105g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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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