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20525-37-5 | 1,2,4-Trioxolane, 3-octyl-
CAS No: 20525-37-5 Catalog No: AG0029Z8 MDL No:
Product Description
Catalog Number:
AG0029Z8
Chemical Name:
1,2,4-Trioxolane, 3-octyl-
CAS Number:
20525-37-5
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
3-octyl-1,2,4-trioxolane
InChI:
InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-10-11-9-12-13-10/h10H,2-9H2,1H3
InChI Key:
ZBRUHXGMUZLRSJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1OCOO1
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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