1,3-Isobenzofurandione, hexahydro-, (3aS-trans)-


Chemical Name: 1,3-Isobenzofurandione, hexahydro-, (3aS-trans)-
CAS Number: 31982-85-1
Product Number: AG003BBS(AGN-PC-0O8VLA)
Synonyms:
MDL No:
Molecular Formula: C8H10O3
Molecular Weight: 154.1632

Identification/Properties


Properties
MP:
166 °C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
154.165g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
154.063g/mol
Monoisotopic Mass:
154.063g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
187
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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#:
2927
Hazard Statements:
H317-H318-H334
Precautionary Statements:
P261-P272-P280-P284-P302+P352+P333+P313+P363-P304+P340+P342+P311-P305+P351+P338+P310-P501
Class:
6.1,8
Packing Group:

NMR Spectrum


Other Analytical Data


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