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29348-79-6 | Pentanediol
CAS No: 29348-79-6 Catalog No: AG002Y44 MDL No:
Product Description
Catalog Number:
AG002Y44
Chemical Name:
Pentanediol
CAS Number:
29348-79-6
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
IUPAC Name:
pentane-1,1-diol
InChI:
InChI=1S/C5H12O2/c1-2-3-4-5(6)7/h5-7H,2-4H2,1H3
InChI Key:
UWJJYHHHVWZFEP-UHFFFAOYSA-N
SMILES:
CCCCC(O)O
Properties
Complexity:
35.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.084g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
104.149g/mol
Monoisotopic Mass:
104.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Carbonic anhydrase immobilized on encapsulated magnetic nanoparticles for CO2 sequestration. | Chemistry (Weinheim an der Bergstrasse, Germany) 20120917 |
| Antistaphylococcal activity of DNA-interactive pyrrolobenzodiazepine (PBD) dimers and PBD-biaryl conjugates. | The Journal of antimicrobial chemotherapy 20120701 |
| DNA interstrand cross-linking and in vivo antitumor activity of the extended pyrrolo[2,1-c][1,4]benzodiazepine dimer SG2057. | Investigational new drugs 20120601 |
| Anti-plasmodial and anti-leishmanial activity of conformationally restricted pentamidine congeners. | The Journal of pharmacy and pharmacology 20060801 |
| Identification of Enterobacter sakazakii from closely related species: the use of artificial neural networks in the analysis of biochemical and 16S rDNA data. | BMC microbiology 20060101 |
| The biochemical differentiation of Enterobacter sakazakii genotypes. | BMC microbiology 20060101 |
| A molecular modeling study of pentanol solubilized in a sodium octanoate micelle. | Journal of colloid and interface science 20020501 |
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