AG0029QZ

2049-80-1 | Propanedioic acid, 2-(2-propen-1-yl)-, 1,3-diethyl ester

AG0029QZ

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CAS Number	2049-80-1
Catalog Number	AG0029QZ(AGN-PC-0C27ML)
Chemical Name	Propanedioic acid, 2-(2-propen-1-yl)-, 1,3-diethyl ester
EC Number	218-072-9
IUPAC Name	diethyl 2-prop-2-enylpropanedioate
InChI	InChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H3
InChI Key	GDWAYKGILJJNBB-UHFFFAOYSA-N
MDL Number	MFCD00009155
Molecular Formula	C10H16O4
Molecular Weight	200.2316
SMILES	O=C(OCC)C(CC=C)C(OCC)=O
Synonyms	Diethyl allylmalonate, 2049-80-1, Ethyl allylmalonate, Diethyl 2-allylmalonate, Allylmalonic acid diethyl ester, Diethyl prop-2-enylpropanedioate, Diethyl 2-(prop-2-enyl)malonate, Malonic acid, allyl-, diethyl ester, Propanedioic acid, 2-propenyl-, diethyl ester, Diethyl 2-(2-propenyl)-1,3-propanedioate, diethyl 2-prop-2-enylpropanedioate, NSC 8777, ALLYL MALONIC ACID, NSC 67393, Propanedioic acid, 2-(2-propen-1-yl)-, 1,3-diethyl ester, diethyl 2-allylpropanedioate, 1,3-diethyl 2-(prop-2-en-1-yl)propanedioate, 2-allylmalonic acid diethyl ester, GDWAYKGILJJNBB-UHFFFAOYSA-N, MFCD00009155, Diethyl allylmalonate, 97%, EINECS 218-072-9, diethyl allyl-malonate, Diethyl-allyl-malonate, ACMC-1CIEB, AI3-11069, AC1L2MUY, Mono-allyldiethyl malonate, 2-Allylmalonic acid diethyl, Diethyl allylmalonate, 95%, CBDivE_005373, SCHEMBL793641, AC1Q63T5, Allylmalonic acid, diethyl ester, CTK3J3537, NSC8777, 2-Allyl-malonic acid diethyl ester, KS-00000X8J, NSC-8777, NSC67393, ZINC1648224, diethyl prop-2-en-1-ylpropanedioate, ANW-24104, NSC-67393, STL282780, 2-propenyl-propanedioicacidiethylester, AKOS002710300, ACM2049801, MCULE-5412970451, NE33833, 2-allyl-propanedioic acid diethyl ester, prop-2-enyl-propanedioicaciddiethylester, 2-Propenylpropanedioic acid diethyl ester, AK307019, AN-50156, CC-26651, CJ-26627, M279, SC-57889, RT-001529, A0231, FT-0622049, EN300-85756, Diethyl allylmalonate, purum, >=95.0% (GC), C-28288, I14-6123, J-013360, Z1525718469, Propanedioic acid,2-(2-propen-1-yl)-, 1,3-diethyl ester, InChI=1/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H, Isopentylbenzene, Diethylallylmalonate, ALLYLDIETHYLMALONATE, Malonic acid, diethyl ester, Propanedioic acid, diethyl ester, C10H16O4, CID74900, AR-1I9632, C10-H16-O4, Diethyl allylmalonate, 97% - 25G 25g, 20926-63-0, 40637-56-7,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.105g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.234g/mol
Monoisotopic Mass	200.105g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H227-H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number