Propanoic acid, 2-methyl-, monoester with2,2,4-trimethyl-1,3-pentanediol


Chemical Name: Propanoic acid, 2-methyl-, monoester with2,2,4-trimethyl-1,3-pentanediol
CAS Number: 25265-77-4
Product Number: AG0038V5(AGN-PC-0R10OC)
Synonyms:
MDL No:
Molecular Formula: C12H26O4
Molecular Weight: 234.3324

Identification/Properties


Computed Properties
Molecular Weight:
216.321g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
216.173g/mol
Monoisotopic Mass:
216.173g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
207
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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