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Substance Name: 5-Acetylsalicylic acid
RN: 13110-96-8
InChIKey: NZRDKNBIPVLNHA-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-O4

Molecular Weight

  • 180.158
 
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Names and Synonyms

Synonym

  • EINECS 236-037-6

Systematic Names

  • 5-Acetylsalicylic acid
  • Benzoic acid, 5-acetyl-2-hydroxy-

Registry Numbers

CAS Registry Number

  • 13110-96-8

System Generated Number

  • 0013110968

Structure Descriptors

InChI

1S/C9H8O4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3,(H,12,13)

InChIKey

NZRDKNBIPVLNHA-UHFFFAOYSA-N

Smiles

O=C(c1cc(ccc1O)C(=O)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.930 (none)   EST
Water Solubility 1060 mg/L   EXP
Atmospheric OH Rate Constant 1.20E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.