AG003PLN

40637-56-7 | Dimethyl 2-allylmalonate

AG003PLN

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CAS Number	40637-56-7
Catalog Number	AG003PLN(AGN-PC-0OA62H)
Chemical Name	Dimethyl 2-allylmalonate
EC Number	255-017-8
IUPAC Name	dimethyl 2-prop-2-enylpropanedioate
InChI	InChI=1S/C8H12O4/c1-4-5-6(7(9)11-2)8(10)12-3/h4,6H,1,5H2,2-3H3
InChI Key	VZNFVLWVVHHMBG-UHFFFAOYSA-N
MDL Number	MFCD00014959
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	O=C(OC)C(CC=C)C(OC)=O
Synonyms	Dimethyl allylmalonate, 40637-56-7, Dimethyl 2-allylmalonate, Propanedioic acid, 2-propenyl-, dimethyl ester, dimethyl 2-prop-2-enylpropanedioate, MFCD00014959, 1,3-dimethyl 2-(prop-2-en-1-yl)propanedioate, EINECS 255-017-8, Dimethyl AllYl-Malonate, ACMC-1BNBN, AC1Q5YQB, AC1LCD84, Dimethyl 2-allylmalonate #, Dimethyl allylmalonate, 98%, SCHEMBL452544, AC1Q41Q1, Allylmalonic acid dimethyl ester, CTK3J3659, KS-00000LYO, DTXSID40193642, VZNFVLWVVHHMBG-UHFFFAOYSA-N, ZINC403220, AKOS005206818, MCULE-2732615591, TRA0080109, VZ31900, 2-allyl-propanedioic acid dimethyl ester, AK307265, AS-12604, ZB013113, AB0012208, RT-001615, FT-0622050, FT-0625036, 2-prop-2-enylpropanedioic acid dimethyl ester, M-2773, A825209, I06-0301, J-802194, InChI=1/C8H12O4/c1-4-5-6(7(9)11-2)8(10)12-3/h4,6H,1,5H2,2-3H, Lithium hexamethyldisilazane, 2-Acetoxyisobutyryl bromide, C8H12O4, AR-1I5620, C8-H12-O4, CID574826, 1-Bromocarbonyl-1-methylethyl acetate, Dimethyl allylmalonate, 99% - 25ML 25ml, 4090-17-9,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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

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