chempirical

1,2,3,4-Butanetetracarboxylic dianhydride

C8H6O6CAS 4534-73-0198.13 g/mol

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Acid anhydride

Properties

Molecular formula
C8H6O6
Molar mass
198.13 g/mol
Exact mass
198.0164 Da
Melting point
242–243.5 °C
logP
-0.83Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
1

Identifiers

CAS number
4534-73-0
SMILES
O=C1CC(C2CC(=O)OC2=O)C(=O)O1
InChIKey
OLQWMCSSZKNOLQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O6/c9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12/h3-4H,1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • [3,3′-Bifuran]-2,2′,5,5′-tetrone, tetrahydro-
  • 1,2,3,4-Butanetetracarboxylic 1,2:3,4-dianhydride
  • Tetrahydro[3,3′-bifuran]-2,2′,5,5′-tetrone
  • 1,2,3,4-Butanetetracarboxylic acid dianhydride
  • Rikacid BT 100
  • BT 100

Work with 1,2,3,4-Butanetetracarboxylic dianhydride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methylsuccinic anhydride4100-80-556 % similar 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-850 % similar (3R)-3-(Acetyloxy)dihydro-2,5-furandione79814-40-747 % similar cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-346 % similar Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-546 % similar Hexahydrophthalic anhydride85-42-746 % similar Phenylsuccinic anhydride1131-15-345 % similar S-Acetylmercaptosuccinic anhydride6953-60-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-2 2,5-Dihydroxyterephthalic acid610-92-4

Elsewhere

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