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Himic anhydride(CAS No. 826-62-0)

Himic anhydride C9H8O3 (cas 826-62-0) Molecular Structure

826-62-0 Structure

Identification and Related Records

【Name】
Himic anhydride
【CAS Registry number】
826-62-0
【Synonyms】
3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione
5-Norbornene-2,3-dicarboxylic anhydride
Bicyclo2.2.1-5-heptene-2,3-dicarboxylic Anhydride
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride
Carbic anhydride
Nadic anhydride
1,2,3,6-tetrahydro-3,6-methanophthalic anhydride
3,6-Endomethylene-1,2,3,6-tetrahydrophthalic anhydride
【EINECS(EC#)】
212-557-9
【Molecular Formula】
C9H8O3 (Products with the same molecular formula)
【Molecular Weight】
164.16
【Inchi】
InChI=1/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2
【Canonical SMILES】
C1C2C=CC1C3C2C(=O)OC3=O
【MOL File】
826-62-0.mol

Chemical and Physical Properties

【Appearance】
White solid.
【Density】
1.405g/cm3
【Melting Point】
158-164℃
【Boiling Point】
331.1°C at 760 mmHg
【Refractive Index】
1.583
【Flash Point】
163.8°C
【Solubilities】
Soluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions. Reacts with water to form corresponding acid.
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
【Computed Properties】
Molecular Weight:164.15802 [g/mol]
Molecular Formula:C9H8O3
XLogP3-AA:0.7
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:164.047344
MonoIsotopic Mass:164.047344
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Formal Charge:0
Complexity:277
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:0.4
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xn:Harmful;
【Risk Statements】
R41;R42/43
【Safety Statements 】
S22;S24;S26;S37/39
【HazardClass】
8
【PackingGroup 】
I; II; III
【Transport】
UN 1325

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