1,3-Isobenzofurandione, hexahydro-5-methyl-


Chemical Name: 1,3-Isobenzofurandione, hexahydro-5-methyl-
CAS Number: 19438-60-9
Product Number: AG00I325(AGN-PC-09YZTI)
Synonyms:
MDL No:
Molecular Formula: C9H12O3
Molecular Weight: 168.1898

Identification/Properties


Computed Properties
Molecular Weight:
168.192g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
168.079g/mol
Monoisotopic Mass:
168.079g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
234
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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