5-Acetyl-2-ethoxybenzoic acid

HCID 18536588
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Basic information

CAS
147676-95-7
Standard SMILES
CCOc1ccc(C(C)=O)cc1C(=O)O
InChIKey
RNHCXKFXAOBPDI-UHFFFAOYSA-N
Molecular formula
C11H12O4
Average molar mass
208.21 g/mol
Monoisotopic mass
208.07355886

Names & identifiers

Preferred name
5-Acetyl-2-ethoxybenzoic acid
IUPAC
5-acetyl-2-ethoxybenzoic acid
English name
5-Acetyl-2-ethoxy-benzoic acid
Molecular formula
C11H12O4
Molecular weight
208.21

Names & synonyms

5-Acetyl-2-ethoxybenzoic acid147676-95-7Benzoic acid, 5-acetyl-2-ethoxy-5-acetyl-2-ethoxy-benzoic acid5-Acetyl-2-ethoxybenzoicacidSCHEMBL641868DTXSID70594901RNHCXKFXAOBPDI-UHFFFAOYSA-NBS-21433CS-0210881

Database identifiers

CAS
147676-95-7
PubChem CID
18536588
DTXSID
DTXSID70594901

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Physicochemical properties

Boiling point
400.6 · 400.6±30.0 °C(Predicted)
Density
1.196 · 1.196±0.06 g/cm3(Predicted)
pka
3.83 · 3.83±0.10(Predicted)

Chemistry & industry

Suppliers8 total

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
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]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
湖州澄博生物科技有限公司13626726938

Related reactions

13 records
New reaction record

Compound notes

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