1,2-Pentanediol


Chemical Name: 1,2-Pentanediol
CAS Number: 5343-92-0
Product Number: AG00I9JH(AGN-PC-0JLZWW)
Synonyms:
MDL No:
Molecular Formula: C5H12O2
Molecular Weight: 104.1476

Identification/Properties


Computed Properties
Molecular Weight:
104.149g/mol
XLogP3:
0.2
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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