1,3-Propanediol, 2,2-dimethyl-, diacetate


Chemical Name: 1,3-Propanediol, 2,2-dimethyl-, diacetate
CAS Number: 13431-57-7
Product Number: AG008014(AGN-PC-0JEJFY)
Synonyms:
MDL No:
Molecular Formula: C9H16O4
Molecular Weight: 188.2209

Identification/Properties


Computed Properties
Molecular Weight:
188.223g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
188.105g/mol
Monoisotopic Mass:
188.105g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
176
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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