AG004W0D

83-13-6 | Diethyl 2-phenylmalonate

AG004W0D

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CAS Number	83-13-6
Catalog Number	AG004W0D(AGN-PC-0JL77A)
Chemical Name	Diethyl 2-phenylmalonate
EC Number	201-456-5
IUPAC Name	diethyl 2-phenylpropanedioate
InChI	InChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChI Key	FGYDHYCFHBSNPE-UHFFFAOYSA-N
MDL Number	MFCD00009144
Molecular Formula	C13H16O4
Molecular Weight	236.2637
SMILES	C(C(=O)OCC)(C(=O)OCC)c1ccccc1
Synonyms	Diethyl phenylmalonate, 83-13-6, Diethyl 2-phenylmalonate, Phenylmalonic acid diethyl ester, Propanedioic acid, phenyl-, diethyl ester, DIETHYLPHENYLMALONATE, 1,3-diethyl 2-phenylpropanedioate, MFCD00009144, diethyl 2-phenylpropanedioate, Diethyl phenylmalonate, 98%, FGYDHYCFHBSNPE-UHFFFAOYSA-N, Malonic acid, phenyl-, diethyl ester, Propanedioic acid, 2-phenyl-, 1,3-diethyl ester, diethyl 2-phenylpropane-1,3-dioate, EINECS 201-456-5, NSC 53560, diethyl-phenylmalonate, PubChem22252, AI3-07022, PhCH(CO2Et)2, ACMC-1BL7R, CBMicro_047868, AC1L25JI, Diethyl 2-phenylmalonate #, KSC448O5J, SCHEMBL266419, DTXSID7058886, CTK3E8754, KS-00000VWC, NSC8126, NSC-8126, NSC53560, ZINC1586421, 2-Phenyl-malonic acid diethyl ester, ANW-37655, NSC-53560, SBB058600, AKOS003671792, MCULE-4259916733, NE10634, RP17557, RTR-037931, 2-phenyl-propanedioic acid diethyl ester, AC-19988, AJ-27561, AK114382, AN-42249, AS-14253, BC215953, CJ-25255, SC-18176, SY033136, TL806278, BIM-0047923.P001, DB-056683, TR-037931, CS-0036888, FT-0624800, Malonic acid, phenyl-, diethyl ester (8CI), P0311, ST24030344, ST50308083, EN300-85265, MFCD00009144 (97%), 009D144, SR-01000196305, I01-2785, Q-200976, SR-01000196305-1, F0001-2125, InChI=1/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H, diethylphenylmalonat-, DIETHYL MALONATE, Diethyl2-phenylmalonate, Malonic acid, diethyl ester, C13H16O4, Propanedioic acid, diethyl ester, CID66514, Diethyl phenylmalonate, 98% 250g, C13-H16-O4, Diethyl phenylmalonate, 98% - 1L 1l, K482, 5122-44-1,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.105g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.267g/mol
Monoisotopic Mass	236.105g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number