CAS 5617-74-3|3-oxabicyclo[3.1.0]hexane-2,4-dione|3-oxabicyclo[3.1.0]hexane-2,4-dione|3-Oxabicyclo[3.1.0]hexane-2,4-dione|1,2-环丙烷二羧酸酸酐|3-氧杂二环[3.1.0]己烷-2,4-二酮|1,2-Cyclopropanedicarbox...

General Information

Structure

Molecular Formula

C₅H₄O₃

Molecular Mass

112.08346

Exact Mass

112.01604399

Charge

InChI

InChI=1S/C5H4O3/c6-4-2-1-3(2)5(7)8-4/h2-3H,1H2

InChIKey

ZRMYHUFDVLRYPN-UHFFFAOYSA-N

Canonic Smiles

O=C1OC(=O)C2C1C2

Isomeric Smiles

C12C(C(=O)OC1=O)C2

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.08663297

LogD (pH = 7.4)

-0.08663297

Log P

-0.08663297

Molar Refractivity

23.0774

Polarizability

9.466528

Polar Surface Area

43.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

3-oxabicyclo[3.1.0]hexane-2,4-dione

IUPAC Traditional name

3-oxabicyclo[3.1.0]hexane-2,4-dione

Synonyms

3-Oxabicyclo[3.1.0]hexane-2,4-dione3-Oxabicyclo[3.1.0]hexane-2,4-dione3-氧杂二环[3.1.0]己烷-2,4-二酮1,2-Cyclopropanedicarboxylic anhydride1,2-环丙烷二羧酸酸酐3-Oxabicyclo[3.1.0]hexane-2,4-dioneCyclopropane-1,2-dicarboxylic acid anhydride2,4-Dioxo-3-oxabicyclo[3.1.0]hexane

Names and Identifiers

Registration numbers

PubChem CID

CAS Number

MDL Number

PubChem SID

Registration numbers

Properties