Dimethyl (hydroxymethylene)malonate

HCID 119754
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Basic information

CAS
27931-91-5
Standard SMILES
COC(=O)C(=CO)C(=O)OC
InChIKey
JMHZOSZGGDSKNP-UHFFFAOYSA-N
Molecular formula
C6H8O5
Average molar mass
160.12 g/mol
Monoisotopic mass
160.03717335

Names & identifiers

Preferred name
Dimethyl (hydroxymethylene)malonate
IUPAC
dimethyl 2-(hydroxymethylidene)propanedioate
English name
dimethyl (hydroxymethylene)malonate
Molecular formula
C6H8O5
Molecular weight
160.12

Names & synonyms

Dimethyl (hydroxymethylene)malonate27931-91-5dimethyl 2-(hydroxymethylidene)propanedioateEINECS 248-735-8hydroxymethylenemalonic acid dimethyl esterJ2B5BDC7BJSCHEMBL10377692DTXSID00182214DA-34834Dimethyl (hydroxymethylidene)propanedioateNS000505371,3-Dimethyl 2-(hydroxymethylene)propanedioate
Show more names
dimethyl 2-(hydroxymethylene)malonateHydroxymethylenepropanedioic acid dimethyl ester
Propanedioic acid, 2-(hydroxymethylene)-, 1,3-dimethyl ester

Database identifiers

CAS
27931-91-5
PubChem CID
119754
DTXSID
DTXSID00182214
UNII
J2B5BDC7BJ
EC Number
248-735-8
Nikkaji
J250.614I

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
11

Physicochemical properties

Melting point
41 · 41-44 °C
Boiling point
184 · 184.0±40.0 °C(Predicted)
Density
1.276 · 1.276±0.06 g/cm3(Predicted)
pka
2.36 · 2.36±0.50(Predicted)

Chemistry & industry

Suppliers1 total

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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