Basic information
- CAS
51947-45-6- Standard SMILES
COC(=O)C(=Cc1ccc(O)cc1)C(=O)OC- InChIKey
SVNROXUQMHLOTA-UHFFFAOYSA-N- Molecular formula
- C12H12O5
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.06847348
Names & identifiers
- Preferred name
- Dimethyl ((4-hydroxyphenyl)methylene)malonate
- IUPAC
- dimethyl 2-[(4-hydroxyphenyl)methylidene]propanedioate
- English name
- 4-Hydroxy benzylidene malonic acid dimethyl ester
- Molecular formula
- C12H12O5
- Molecular weight
- 236.22
Names & synonyms
51947-45-6Dimethyl ((4-hydroxyphenyl)methylene)malonatedimethyl 2-(4-hydroxybenzylidene)malonatedimethyl 2-[(4-hydroxyphenyl)methylidene]propanedioateDimethyl 2-[(4-hydroxyphenyl)methylene] propanedioateDimethyl 2-[(4-hydroxyphenyl)methylene]propanedioateEINECS 257-539-1dimethyl (4-hydroxyphenyl)methylenemalonateSCHEMBL3519645DTXSID40199922dimethyl 4-hydroxybenzylidenemalonateMFCD00043985
Show more names
dimethyl [(4-hydroxyphenyl)methylene]malonate4-Hydroxy benzylidene malonic acid dimethyl ester4-HYDROXYBENZYLIDENEMALONIC ACID DIMETHYL ESTER 97%imethyl2-[(4-hydroxyphenyl)methylidene]propanedioateDIMETHYL 2-[(4-HYDROXYPHENYL)METHYLENE]PROPANE DIOATE4-Hydroxy benzylidene malonic acid dimethyl ester,97%[(4-Hydroxyphenyl)methylene]propanedioic acid dimethyl ester2-[(4-HYDROXYPHENYL)METHYLENE] PROPANEDIOIC ACID DIMETHYL ESTERPropanedioic acid, 2-[(4-hydroxyphenyl)methylene]-, 1,3-dimethyl ester
AKOS024390692dimethyl2-(4-hydroxybenzylidene)malonateDB-052050dimethyl 2-(4'-hydroxybenzylidene)malonatedimethyl 2-(4-hydroxybenzylidene)-malonateNS00032383ST510459494-hydroxybenzylidene-malonic acid dimethyl ester
Database identifiers
- CAS
51947-45-6- PubChem CID
- 103565
- DTXSID
DTXSID40199922- EC Number
- 257-539-1
- Nikkaji
- J279.383K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 155 · 155-160 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 29182900 · 29182900
Safety & regulation
Safety data
- hs_code
- 29182900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers5 total
安徽合诺生物科技有限公司0555-2761852
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安徽合诺生物科技有限公司18455579438
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
12 records
Compound notes
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