Basic information
- Standard SMILES
COC(=O)c1cccc(OC(C)=O)c1- InChIKey
QVHJKRQXHIMCTL-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- Methyl 3-(acetyloxy)benzoate
- IUPAC
- methyl 3-acetyloxybenzoate
- English name
- 3-Acetoxybenzoic acid methyl ester
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
Methyl 3-(acetyloxy)benzoate24781-23-5methyl 3-acetoxybenzoatemethyl 3-acetyloxybenzoateBenzoic acid, 3-(acetyloxy)-, methyl esterMFCD00092814Methyl m-acetoxybenzoateMethyl3-(acetyloxy)benzoateBenzoic acid, m-hydroxy-, methyl ester, acetateSCHEMBL5986868SCHEMBL7405863Methyl 3-(acetyloxy)benzoate #
Show more names
m-Acetoxybenzoic acid methyl ester3-Acetoxybenzoic acid methyl ester
3-Acetoxybenzoesaeure-methylesterDTXSID60342034QVHJKRQXHIMCTL-UHFFFAOYSA-N3-Acetoxy-benzoic acid methyl ester3-Acetoxybenzoic acid, methyl esterAKOS006241927BS-22120SY479015
Database identifiers
- CAS
24781-23-5- PubChem CID
- 577969
- DTXSID
DTXSID60342034- Nikkaji
- J104.022G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 291.1 · 291.1±23.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2917399590 · 2917399590
Safety & regulation
Safety data
- hs_code
- 2917399590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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