AG0029R2

2049-70-9 | Propanedioic acid, 2-ethyl-2-methyl-, 1,3-diethyl ester

AG0029R2

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CAS Number	2049-70-9
Catalog Number	AG0029R2(AGN-PC-00530D)
Chemical Name	Propanedioic acid, 2-ethyl-2-methyl-, 1,3-diethyl ester
EC Number	218-070-8
IUPAC Name	diethyl 2-ethyl-2-methylpropanedioate
InChI	InChI=1S/C10H18O4/c1-5-10(4,8(11)13-6-2)9(12)14-7-3/h5-7H2,1-4H3
InChI Key	ODRGILDUWDVBJX-UHFFFAOYSA-N
MDL Number	MFCD02258541
Molecular Formula	C10H18O4
Molecular Weight	202.2475
SMILES	CCOC(=O)C(C)(CC)C(=O)OCC
Synonyms	2049-70-9, Diethyl 2-ethyl-2-methylmalonate, DIETHYL ETHYLMETHYLMALONATE, 2-Ethyl-2-methylmalonic Acid Diethyl Ester, ODRGILDUWDVBJX-UHFFFAOYSA-N, EINECS 218-070-8, Diathylathylmethylmalonat, ACMC-209faw, Propanedioic acid, ethylmethyl-, diethyl ester, AC1L27NN, SCHEMBL7512223, DIETHYL METHYLETHYLMALONATE, DTXSID50174462, ZINC2038956, Diethyl 2-ethyl-2-methylmalonate #, Ethylmethylmalonic acid diethyl ester, ANW-24102, MFCD02258541, diethyl 2-ethyl-2-methylpropanedioate, 2-Ethyl-2-methylmalonic acid diethylester, CJ-32204, 1,3-diethyl 2-ethyl-2-methylpropanedioate, TC-112847, D3630, DIETHYL ISOPROPYLMALONATE, CID16293, C10-H18-O4,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.121g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	202.25g/mol
Monoisotopic Mass	202.121g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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