1,4-Pentanediol


Chemical Name: 1,4-Pentanediol
CAS Number: 626-95-9
Product Number: AG0038KY(AGN-PC-0JLRS0)
Synonyms:
MDL No:
Molecular Formula: C5H12O2
Molecular Weight: 104.1476

Identification/Properties


Computed Properties
Molecular Weight:
104.149g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
104.084g/mol
Monoisotopic Mass:
104.084g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
37.1
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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