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14697-46-2 | Pentane-1,2,5-triol
CAS No: 14697-46-2 Catalog No: AG003DBH MDL No:MFCD01709258
Product Description
Catalog Number:
AG003DBH
Chemical Name:
Pentane-1,2,5-triol
CAS Number:
14697-46-2
Molecular Formula:
C5H12O3
Molecular Weight:
120.1470
MDL Number:
MFCD01709258
IUPAC Name:
pentane-1,2,5-triol
InChI:
InChI=1S/C5H12O3/c6-3-1-2-5(8)4-7/h5-8H,1-4H2
InChI Key:
WEAYWASEBDOLRG-UHFFFAOYSA-N
SMILES:
OCCCC(CO)O
EC Number:
238-747-1
NSC Number:
44963
Properties
Complexity:
46.9
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:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Assessment of the antioxidant potential of selected plant extracts--in vitro and in vivo experiments on pork. | Meat science 20100801 |
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