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Structure

exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic anhydride

CAS
6118-51-0
Catalog Number
ACM-MO-6118510
Category
Polymer/Macromolecule; Anhydride Monomers
Molecular Weight
166.13 g/mol
Molecular Formula
C8H6O4

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Specification

Synonyms
4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4S,7R,7aS)-rel-
IUPAC Name
4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Canonical SMILES
O=C1OC(=O)[C@H]2C3OC(C=C3)[C@@H]12
InChI
1S/C8H6O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-6H/t3-,4+,5-,6+
InChI Key
QQYNRBAAQFZCLF-FBXFSONDSA-N
Boiling Point
372.0±42.0 °C
Melting Point
123-124 °C
Flash Point
172.2 °C
Application
This product is suitable for scientific research.
Storage
Store at room temperature
Complexity
278
Covalently-Bonded Unit Count
1
EC Number
226-570-2
Exact Mass
166.026609g/mol
Features And Benefits
1. High quality products
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Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
12
MDL Number
MFCD00151506
Monoisotopic Mass
166.026609g/mol
NACRES
NA.23
NSC Number
144085;190418;231495;61997;14002
Physical State
Solid
PubChem ID
24859882
Quality Level
100
Refractive Index
1.583
Rotatable Bond Count
0
Specific Gravity
1.540±0.06
XLogP3
-0.5
What is the molecular formula of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride?

The molecular formula of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride is C8H6O4.

What is the molecular weight of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride?

The molecular weight of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride is 166.13 g/mol.

What is the IUPAC name of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride?

The IUPAC name of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride is 4,10-dioxatricyclo[5.2.1.0 2,6]dec-8-ene-3,5-dione.

What is the InChI of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride?

The InChI of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride is InChI=1S/C8H6O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-6H.

What is the InChIKey of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride?

The InChIKey of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride is QQYNRBAAQFZCLF-UHFFFAOYSA-N.

What is the canonical SMILES of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride?

The canonical SMILES of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride is C1=CC2C3C(C1O2)C(=O)OC3=O.

What is the CAS number of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride?

The CAS number of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride is 5426-09-5.

What is the hydrogen bond donor count of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride?

The hydrogen bond donor count of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride is 0.

What is the hydrogen bond acceptor count of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride?

The hydrogen bond acceptor count of Exo-3,6-epoxy-1,2,-3,6-tetrahydrophthalic anhydride is 4.

What is the topological polar surface area of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride?

The topological polar surface area of Exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic anhydride is 52.6Ų.

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