Diethyl Benzylmalonate

CAT: 0024-sc-211318Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-211318Size:5 g

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CAS Number

607-81-8

Chemical Information

Diethyl 2-benzylpropanedioate

CAS Number	607-81-8
PubChem CID	69090
IUPAC Name	diethyl 2-benzylpropanedioate
Molecular Formula	C14H18O4
Molecular Weight	250.29
XLogP	2.8
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	18
Formal Charge	0
Complexity	251

SMILES

CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

InChIKey

ICZLTZWATFXDLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 607-81-8

CID: 69090

Formula: C14H18O4

MW: 250.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.29
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	250.12050905
Monoisotopic Mass	250.12050905
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	251
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-486015	Dimethyl Benzylmalonate
sc-300443	Diethyl 2-benzoylmalonate
sc-300443A	Diethyl 2-benzoylmalonate
sc-202574A	Diethyl Pyrocarbonate
sc-257337	Diethyl ketomalonate
sc-257343	Diethyl oxalpropionate
sc-239742	Diethyl vinylphosphonate
sc-239738	Diethyl phthalate
sc-486313	Diethyl sulfite
sc-239729	Diethyl cyanomethylphosphonate

Catalog	Name
OR75546-01	Diethyl benzylmalonate
TRC-D124642-250MG	Diethyl Benzylmalonate-d7
D21190-01	Diethyl Benzylmalonate 97%
OR1078564-01	Dimethyl Benzylmalonate
OR27531	Di (2,4,6-trichlorophenyl) 2-benzylmalonate
TRC-P359432-10MG	Diethyl phosphate-d10 (diethyl-d10)
D24360-01	Diethyl phosphonacetaldehyde diethyl acetal 98%
B9076	Butyronitrile Diethyl Malonate (Diethyl-3-cyanopropylmalonate)
070975	Diethyl Carbamyl Chloride (Diethyl Carbamoyl Chloride)
C6538-500	Diethyl fumarate