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Substance Name: Acetylsalicylsalicylic acid
RN: 530-75-6
UNII: VBE72MCP5L
InChIKey: DDSFKIFGAPZBSR-UHFFFAOYSA-N

Note

  • Potential immunogenic impurity in aspirin.

Molecular Formula

  • C16-H12-O6

Molecular Weight

  • 300.265
 
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Names and Synonyms

Name of Substance

  • Acetylsalicylsalicylic acid

Synonyms

  • 2-Carboxyphenyl 2-(acetyloxy)benzoate
  • CCRIS 1740
  • EINECS 208-493-6
  • UNII-VBE72MCP5L

Systematic Names

  • 2-Carboxyphenyl o-acetylsalicylate
  • Benzoic acid, 2-(acetyloxy)-, 2-carboxyphenyl ester

Registry Numbers

CAS Registry Number

  • 530-75-6

FDA UNII

  • VBE72MCP5L

System Generated Number

  • 0000530756

Structure Descriptors

InChI

1S/C16H12O6/c1-10(17)21-14-9-5-3-7-12(14)16(20)22-13-8-4-2-6-11(13)15(18)19/h2-9H,1H3,(H,18,19)

InChIKey

DDSFKIFGAPZBSR-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(O)=O)OC(c1c(cccc1)OC(C)=O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 159 deg C   EXP
log P (octanol-water) 2.180 (none)   EST
Atmospheric OH Rate Constant 3.14E-12 cm3/molecule-sec 25 EST

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