Basic information
- CAS
4219-55-0- Standard SMILES
CCC(=O)c1ccc(C(=O)O)cc1- InChIKey
MQZBJHMHKZVYHB-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- p-Propionylbenzoic acid
- IUPAC
- 4-propanoylbenzoic acid
- English name
- 4-propanoylbenzoic acid
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
4219-55-0P-PROPIONYLBENZOIC ACIDDTXSID60195007RefChem:367743DTXCID301174984-propanoylbenzoic acid4-PROPIONYLBENZOIC ACIDMFCD022608614-propionyl-benzoic acid4-PROPIONYLBENZOICACIDSCHEMBL1146446MQZBJHMHKZVYHB-UHFFFAOYSA-N
Show more names
4-(1-oxopropyl)benzoic acidBenzoic acid, 4-(1-oxopropyl)-1-(4-Carboxyphenyl)propan-1-one
EAA21955XH1261AKOS006277747BS-28447DA-22964SY139865CS-0167795E82080
Database identifiers
- CAS
4219-55-0- PubChem CID
- 20202
- DTXSID
DTXSID60195007- Nikkaji
- J540.281F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 348.5 · 348.5±25.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.72 · 3.72±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers23 total
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
安徽合诺生物科技有限公司18455579438
南京诺利斯医药科技有限公司13901585132 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
湖州清硫硅生物科技有限公司13626726938 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖州澄博生物科技有限公司13626726938
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
9 records
Compound notes
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