Basic information
- CAS
4472-92-8- Standard SMILES
O=C(O)C(=CC=Cc1ccccc1)C(=O)O- InChIKey
BLPUXJIIRIWMSQ-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- 2-(3-Phenyl-2-propen-1-ylidene)propanedioic acid
- IUPAC
- 2-cinnamylidenepropanedioic acid
- English name
- Cinnamylidenemalonic acid
- Molecular formula
- C12H10O4
- Molecular weight
- 218.21
Names & synonyms
DTXSID2012402292-(3-Phenyl-2-propen-1-ylidene)propanedioic acidRefChem:455897DTXCID2016711332-[(2E)-3-phenylprop-2-en-1-ylidene]propanedioic acid2-cinnamylidenepropanedioic acidCinnamalmalonsaureSCHEMBL1614745CINNAMYLIDENE MALONIC ACIDDB-051244NS00047581ST50409839
Show more names
2-(3-Phenylallylidene)malonic acidAKOS 213-107Einecs 224-746-3RARECHEM AL BO 2183CINNAMALMALONICACIDCinnamylidenemalonic acidCinnamylidenemalonic acid, 98+%3-Phenyl-2-propenylidenemalonic acid2-Carboxy-5-phenyl-2,4-pentadienoic acid2-(3-Phenyl-2-propene-1-ylidene)malonic acid
2-(3-phenylprop-2-enylidene)propanedioic acid(3-Phenylprop-2-en-1-ylidene)propanedioic acid
Database identifiers
- CAS
4472-92-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 208 °C · 208°C (dec.)
- Boiling point
- 484.6 · 484.6±45.0 °C(Predicted)
- Density
- 1.342 · 1.342±0.06 g/cm3(Predicted)
- pka
- 2.43 · 2.43±0.36(Predicted)
- BRN
- 1962423 · 1962423
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers14 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
成都伍源生物工程有限公司17358513851 · [email protected]
Aladdin Scientific[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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