3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate)


Chemical Name: 3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate)
CAS Number: 16655-82-6
Product Number: AG001WTW(AGN-PC-0Q8YEK)
Synonyms:
MDL No:
Molecular Formula: C12H15NO4
Molecular Weight: 237.2518

Identification/Properties


Computed Properties
Molecular Weight:
237.255g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
237.1g/mol
Monoisotopic Mass:
237.1g/mol
Topological Polar Surface Area:
67.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
305
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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