4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-,(3aR,4S,7R,7aS)-rel-


Chemical Name: 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-,(3aR,4S,7R,7aS)-rel-
CAS Number: 129-64-6
Product Number: AG003856(AGN-PC-0PJ1R0)
Synonyms:
MDL No:
Molecular Formula: C9H8O3
Molecular Weight: 164.1580

Identification/Properties


Computed Properties
Molecular Weight:
164.16g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
164.047g/mol
Monoisotopic Mass:
164.047g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
277
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2923
Hazard Statements:
H317-H318-H334
Precautionary Statements:
P261-P280-P305+P351+P338-P342+P311
Class:
8,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback