Dimethyl allylmalonate

CAT: 0024-sc-234730Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-234730Size:5 mL

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CAS Number

40637-56-7

Chemical Information

Dimethyl allylmalonate

CAS Number	40637-56-7
PubChem CID	574826
IUPAC Name	dimethyl 2-prop-2-enylpropanedioate
Molecular Formula	C8H12O4
Molecular Weight	172.18
XLogP	1.3
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	12
Formal Charge	0
Complexity	169

SMILES

COC(=O)C(CC=C)C(=O)OC

InChI

InChI=1S/C8H12O4/c1-4-5-6(7(9)11-2)8(10)12-3/h4,6H,1,5H2,2-3H3

InChIKey

VZNFVLWVVHHMBG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40637-56-7

CID: 574826

Formula: C8H12O4

MW: 172.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.18
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	172.07355886
Monoisotopic Mass	172.07355886
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-278953	Diethyl allylmalonate
sc-268930	Dimethyl 2,2-dimethyl-malonate
sc-496643	Dimethyl Isopropylidenemalonate
sc-326855A	Dimethyl difluoromalonate
sc-285438A	Dimethyl hexadecafluorosebacate
sc-223945	Dimethyl acetylsuccinate
sc-474838	Dimethyl Tetradecanedioate
sc-263093	Dimethyl pyridineboronate
sc-285440A	Dimethyl tetradecafluoroazelate
sc-255106	Dimethyl glutarate

Catalog	Name
TRC-D459960-1G	Dimethyl Allylmalonate
OR79876-01	Dimethyl 2-allylmalonate
446818-01	Diethyl Allylmalonate
D19680-01	Diethyl allylmalonate 97%
FD62526	Dimethyl Phthalate
FD40109-01	Dimethyl glutarate
FD34694-01	Dimethyl chlorothiophosphate
FD06000	Dimethyl epipodophyllotoxin
BAA73179-01	Dimethyl Dodecanedioate
HDA49160	Dimethyl Cyclopentylmalonate