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31094-75-4 | Pentanetriol
CAS No: 31094-75-4 Catalog No: AG00323V MDL No:
Product Description
Catalog Number:
AG00323V
Chemical Name:
Pentanetriol
CAS Number:
31094-75-4
Molecular Formula:
C5H12O3
Molecular Weight:
120.1470
IUPAC Name:
pentane-1,1,1-triol
InChI:
InChI=1S/C5H12O3/c1-2-3-4-5(6,7)8/h6-8H,2-4H2,1H3
InChI Key:
FVGBHSIHHXTYTH-UHFFFAOYSA-N
SMILES:
CCCCC(O)(O)O
Properties
Complexity:
55.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.079g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
120.148g/mol
Monoisotopic Mass:
120.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Dynamic planar solid phase microextraction-ion mobility spectrometry for rapid field air sampling and analysis of illicit drugs and explosives. | Analytical chemistry 20100401 |
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