AG003PF5

107516-75-6 | DIETHYL 1H-INDOLE-2,6-DICARBOXYLATE

AG003PF5

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CAS Number	107516-75-6
Catalog Number	AG003PF5(AGN-PC-078JMV)
Chemical Name	DIETHYL 1H-INDOLE-2,6-DICARBOXYLATE
IUPAC Name	diethyl 1H-indole-2,6-dicarboxylate
InChI	InChI=1S/C14H15NO4/c1-3-18-13(16)10-6-5-9-7-12(14(17)19-4-2)15-11(9)8-10/h5-8,15H,3-4H2,1-2H3
InChI Key	ISQYBMUDGXFHAF-UHFFFAOYSA-N
MDL Number	MFCD03411566
Molecular Formula	C14H15NO4
Molecular Weight	261.2732
SMILES	O=C(C(N1)=CC2=C1C=C(C(OCC)=O)C=C2)OCC
Synonyms	107516-75-6, DIETHYL 1H-INDOLE-2,6-DICARBOXYLATE, 6-Ethoxycarbonylindole-2-carboxylic acid ethyl ester, Diethyl indole-2,6-dicarboxylate, MFCD03411566, AK158171, Indole-2,6-dicarboxylic acid diethyl ester, 1H-indole-2,6-dicarboxylic acid diethyl ester, Dethyl indole-2,6-dicarboxylate, PubChem15804, SCHEMBL71101, DTXSID50660512, ISQYBMUDGXFHAF-UHFFFAOYSA-N, KS-00000SG6, ZINC2524873, 9518AF, CD-210, AKOS015898570, DS-9331, LS20058, RD-0129, TRA0004289, VI30056, AJ-37338, SC-72353, AX8292057, DB-059642, FT-0734848, ST24046524, S-7963, 6-Ethoxycarbonylindole-2-carboxylic acid ethyl est, I10-0587, J-518682, C14H15NO4, 35737-10-1,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.1g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.277g/mol
Monoisotopic Mass	261.1g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	68.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

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