1,2,3-Propanetriol, 1,2-diacetate


Chemical Name: 1,2,3-Propanetriol, 1,2-diacetate
CAS Number: 102-62-5
Product Number: AG00068E(AGN-PC-0ORPY5)
Synonyms:
MDL No:
Molecular Formula: C7H12O5
Molecular Weight: 176.1672

Identification/Properties


Computed Properties
Molecular Weight:
176.168g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
176.068g/mol
Monoisotopic Mass:
176.068g/mol
Topological Polar Surface Area:
72.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
165
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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