AG00IBL1

6628-68-8 | Propanedioic acid, (2-phenylethyl)-, diethyl ester

AG00IBL1

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CAS Number	6628-68-8
Catalog Number	AG00IBL1(AGN-PC-0JLT1J)
Chemical Name	Propanedioic acid, (2-phenylethyl)-, diethyl ester
EC Number	229-610-7
IUPAC Name	diethyl 2-(2-phenylethyl)propanedioate
InChI	InChI=1S/C15H20O4/c1-3-18-14(16)13(15(17)19-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChI Key	LMFLGETWXFOVMQ-UHFFFAOYSA-N
MDL Number	MFCD00026887
Molecular Formula	C15H20O4
Molecular Weight	264.3169
NSC Number	60931
SMILES	O=C(OCC)C(CCC1=CC=CC=C1)C(OCC)=O
Synonyms	6628-68-8, Diethyl 2-phenethylmalonate, Diethyl 2-phenylethylmalonate, diethyl 2-(phenylethyl)malonoate, diethyl (2-phenylethyl)malonate, diethyl 2-(2-phenylethyl)malonoate, Propanedioic acid, (2-phenylethyl)-, diethyl ester, diethyl phenethylmalonate, LMFLGETWXFOVMQ-UHFFFAOYSA-N, Diethyl 2-(2-phenylethyl)malonate, 2-phenethyl-malonic acid diethyl ester, Propanedioic acid,2-(2-phenylethyl)-, 1,3-diethyl ester, diethyl(2-phenylethyl)malonate, EINECS 229-610-7, Diethyl ester of 2-Phenethylmalonic acid, AI3-02939, diethyl phenylethylmalonate, diethyl benzylmethylmalonate, AC1L30NI, AC1Q63UB, NCIOpen2_002651, SCHEMBL935980, diethyl 2-phenethylpropanedioate, Diethyl2-(phenylethyl)malonoate, CTK5C4031, DTXSID00216482, NSC60931, ZINC1690585, ZX-AT018223, 7625AE, MFCD00026887, NSC-60931, OR6546, Diethyl 2-(2-phenylethyl)malonate #, AKOS005216003, IMED1322698153, MCULE-5600209478, VZ31783, SEL14248357, ethyl 2-ethoxycarbonyl-4-phenylbutanoate, (2-Phenylethyl)malonic acid diethyl ester, AK400969, AS-10526, CJ-28125, SY045472, DB-054908, Diethyl (2-phenylethyl)propane-1,3-dioate, 1,3-diethyl 2-(2-phenylethyl)propanedioate, FT-0636208, MFCD00026887 (95%), C-16535, Propanedioic acid,2-(2-phenylethyl)-,1,3-diethyl ester, DIETHYL2- MALONOATE, Propanedioic acid, diethyl ester, C15H20O4, CID81119, AR-1I4888, C15-H20-O4, 68083-83-0,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.136g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	264.321g/mol
Monoisotopic Mass	264.136g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number