Basic information
- CAS
17477-46-2- Standard SMILES
CC(=O)Oc1cc(C(=O)O)ccc1C- InChIKey
SZCRYZIJVIJPQT-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 3-(Acetyloxy)-4-methylbenzoic acid
- IUPAC
- 3-acetyloxy-4-methylbenzoic acid
- English name
- 3-Acetoxy-4-methylbenzoic acid
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
17477-46-23-(acetyloxy)-4-methylbenzoic acidBenzoic acid, 3-(acetyloxy)-4-methyl-DTXSID70626579RefChem:92536DTXCID90577332SZCRYZIJVIJPQT-UHFFFAOYSA-N3-acetoxy-4-methylbenzoic acid3-acetyloxy-4-methylbenzoic acid3-acetoxy-4-methylbenzoicacidSCHEMBL19233883-acetoxy-4-methyl-benzoic acid
Show more names
AKOS006292840
Database identifiers
- CAS
17477-46-2- PubChem CID
- 22569998
- DTXSID
DTXSID70626579
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 349.3 · 349.3±30.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.11 · 4.11±0.10(Predicted)
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Related reactions
5 records
Compound notes
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