5-hydroxypentanal


Chemical Name: 5-hydroxypentanal
CAS Number: 4221-03-8
Product Number: AG0039O3(AGN-PC-0CLM67)
Synonyms:
MDL No:
Molecular Formula: C5H10O2
Molecular Weight: 102.1317

Identification/Properties


Computed Properties
Molecular Weight:
102.133g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
102.068g/mol
Monoisotopic Mass:
102.068g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
43.3
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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