1,3-Dimethyl 2-methylenepropanedioate

HCID 76906CAS 3377-21-7
Substructure searchFind similar structures

Basic information

Standard SMILES
C=C(C(=O)OC)C(=O)OC
InChIKey
KTLZQSZGORXBED-UHFFFAOYSA-N
Molecular formula
C6H8O4
Average molar mass
144.12 g/mol
Monoisotopic mass
144.04225874

Names & identifiers

Preferred name
1,3-Dimethyl 2-methylenepropanedioate
IUPAC
dimethyl 2-methylidenepropanedioate
English name
dimethyl methylenemalonate
Molecular formula
C6H8O4
Molecular weight
144.13

Names & synonyms

Dimethyl methylenemalonate3377-21-7YQN34UG3PKDTXSID30187434RefChem:1052860DTXCID401099251,3-Dimethyl 2-methylenepropanedioate222-171-2Dimethyl 2-methylenemalonatedimethyl 2-methylidenepropanedioateDimethyl 2-methylenepropanedioateMFCD16877061
Show more names
Dimethyl ethylene-1,1-dicarboxylateMethylenemalonic acid dimethyl esterMethylenepropanedioic acid dimethyl esterPropanedioic acid, 2-Methylene-, 1,3-diMethyl ester
Propanedioic acid, methylene-, dimethyl esterEINECS 222-171-2Methylenemalonic acid, dimethyl esterdimethyl methlenemalonateUNII-YQN34UG3PKDimethyl2-methylenemalonate1,3-DIMETHYL 2-METHYLIDENEPROPANEDIOATESCHEMBL40659

Database identifiers

CAS
3377-21-7
PubChem CID
76906
DTXSID
DTXSID30187434
UNII
YQN34UG3PK
EC Number
222-171-2
Nikkaji
J121.397K

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
10

Physicochemical properties

Boiling point
195 · 195-205 °C
Density
1.113 · 1.113±0.06 g/cm3(Predicted)
FDA UNII
34 UG3PK · YQN34UG3PK

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers11 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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1,3-Dimethyl 2-methylenepropanedioate (HCID 76906)｜Huagongshe