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Substance Name: Methylenesuccinic acid
RN: 97-65-4
UNII: Q4516562YH
InChIKey: LVHBHZANLOWSRM-UHFFFAOYSA-N

Molecular Formula

  • C5-H6-O4

Molecular Weight

  • 130.098
 
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Names and Synonyms

Name of Substance

  • Itaconic acid
  • Methylenesuccinic acid

Synonyms

  • 2-Propene-1,2-dicarboxylic acid
  • AI3-16901
  • Butanedioic acid, methylene-
  • EC 202-599-6
  • EINECS 202-599-6
  • HSDB 5308
  • Itaconic acid
  • Methylenebutanedioic acid
  • NSC 3357
  • Propylenedicarboxylic acid
  • Succinic acid, methylene-
  • UNII-Q4516562YH

Systematic Names

  • Butanedioic acid, 2-methylene-
  • Butanedioic acid, methylene-
  • Itaconic acid
  • Methylenebutanedioic acid
  • Succinic acid, methylene-

Superlist Names

  • Butanedioic acid, methylene-
  • Succinic acid, methylene-

Registry Numbers

CAS Registry Number

  • 97-65-4

FDA UNII

  • Q4516562YH

Other Registry Number

  • 1887074-72-7

Related Registry Numbers

  • 50976-31-3 (hydrochloride salt)
  • 5363-69-9 (di-hydrochloride salt)

System Generated Number

  • 0000097654

Structure Descriptors

InChI

InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)

InChIKey

LVHBHZANLOWSRM-UHFFFAOYSA-N

Smiles

OC(=O)CC(=C)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 175 deg C   EXP
log P (octanol-water) -0.340 (none)   EST
Water Solubility 7.68E+04 mg/L 20 EXP
Atmospheric OH Rate Constant 1.97E-11 cm3/molecule-sec 25 EST

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