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Basic Information
CAS No.: 4840-63-5
Name: 2-Methoxy-5-(ethylsulfonyl)benzoic acid
Molecular Structure:
Molecular Structure of 4840-63-5 (2-Methoxy-5-(ethylsulfonyl)benzoic acid)
Formula: C10H12O5S
Molecular Weight: 244.268
Synonyms: o-Anisicacid, 5-(ethylsulfonyl)- (7CI,8CI);3-Ethylsulfonyl-6-methoxybenzoic acid;5-(Ethylsulfonyl)-2-methoxybenzoic acid;
EINECS: 225-426-6
Density: 1.325 g/cm3
Boiling Point: 470.7 °C at 760 mmHg
Flash Point: 238.5 °C
Hazard Symbols: IrritantXi
PSA: 89.05000
LogP: 2.26780
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Chemistry

Product Name: 5-(Ethylsulphonyl)-o-anisic acid (CAS NO.4840-63-5)


Molecular Formula: C10H12O5S
Molecular Weight: 244.26g/mol
Mol File: 4840-63-5.mol
EINECS: 225-426-6
Boiling point: 470.7 °C at 760 mmHg
Flash Point: 238.5 °C
Density: 1.325 g/cm3
Surface Tension: 47 dyne/cm
Enthalpy of Vaporization: 77.25 kJ/mol
Vapour Pressure: 1.16E-09 mmHg at 25°C
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of 5-(Ethylsulphonyl)-o-anisic acid (CAS NO.4840-63-5):
  IUPAC Name: 5-ethylsulfonyl-2-methoxybenzoic acid
  Canonical SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)O
  InChI: InChI=1S/C10H12O5S/c1-3-16(13,14)7-4-5-9(15-2)8(6-7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12) 
  InChIKey: NBFYWQQYIJTQQV-UHFFFAOYSA-N
Product Categories: Organic acid  

Safety Profile

Safety Information of 5-(Ethylsulphonyl)-o-anisic acid (CAS NO.4840-63-5):
Hazard Codes: XiIrritant
Hazard Note: Irritant