1,3,5-O-Methylidyne-myo-inositol


Chemical Name: 1,3,5-O-Methylidyne-myo-inositol
CAS Number: 98510-20-4
Product Number: AG00IK46(AGN-PC-0K2UHY)
Synonyms:
MDL No:
Molecular Formula: C7H10O6
Molecular Weight: 190.1507

Identification/Properties


Computed Properties
Molecular Weight:
190.151g/mol
XLogP3:
-2.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
190.048g/mol
Monoisotopic Mass:
190.048g/mol
Topological Polar Surface Area:
88.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
177
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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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