Products for Research Use Only
RegisterLogin

Diethyl Methylphenylmalonate

CAT: 0572-TRC-D473613-500MGSize: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-D473613-500MGSize:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
34009-61-5
Synonyms
2-Methyl-2-phenyl-propanedioic Acid 1,3-Diethyl Ester; Methylphenyl-malonic Acid Diethyl Ester; Methylphenyl-propanedioic Acid Diethyl Ester; Diethyl 2-Methyl-2-phenylmalonate; NSC 147481
Hazard Statement
No Data Available
Smiles
ClCc1nccs1
Molecular Formula
C4 H4 Cl N S
Molecular Weight
133.599
InChI
InChI=1S/C4H4ClNS/c5-3-4-6-1-2-7-4/h1-2H,3H2
Additionnal Information
IUPAC name: 2-(chloromethyl)-1,3-thiazole
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Propanedioic acid, 2-methyl-2-phenyl-, 1,3-diethyl ester
CAS Number34009-61-5
PubChem CID98549
IUPAC Namediethyl 2-methyl-2-phenylpropanedioate
Molecular FormulaC14H18O4
Molecular Weight250.29
XLogP2.9
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity274
SMILES
CCOC(=O)C(C)(C1=CC=CC=C1)C(=O)OCC
InChI
InChI=1S/C14H18O4/c1-4-17-12(15)14(3,13(16)18-5-2)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKey
KGUIOHXCGVQYEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propanedioic acid, 2-methyl-2-phenyl-, 1,3-diethyl ester
CAS: 34009-61-5
CID: 98549
Formula: C14H18O4
MW: 250.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.29
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass250.12050905
Monoisotopic Mass250.12050905
Topological Polar Surface Area52.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-P359432-10MGDiethyl phosphate-d10 (diethyl-d10)
TRC-D444130-1GDiethyl Cromoglycate
TRC-D443753-2.5GDiethyl Isopropylmalonate
TRC-D444220-500MGDiethyl Difluoromethanephosphonate
TRC-D444130-250MGDiethyl Cromoglycate
TRC-D444770-100GDiethyl Phthalate
TRC-D444430-25GDiethyl Methylmalonate
TRC-D444535-5GDiethyl Maleate
TRC-D445000-100GDiethyl Suberate
TRC-D445280-10GDiethyl Ureidomalonate

Alternative Products

CatalogName
JBA00961-01Diethyl methylphenylmalonate
D24360-01Diethyl phosphonacetaldehyde diethyl acetal 98%
B9076Butyronitrile Diethyl Malonate (Diethyl-3-cyanopropylmalonate)
070975Diethyl Carbamyl Chloride (Diethyl Carbamoyl Chloride)
sc-202574ADiethyl Pyrocarbonate
C6538-500Diethyl fumarate
BA8017-25Diethyl-pythiDC
CS-T-81223Mefenpyr-diethyl
FD61056-01Diethyl Chlorothiophosphate
FD21801-01Diethyl phthalate

Popular Products