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88568-90-5 | 1,2,4-Trioxolane, 3-heptyl-
CAS No: 88568-90-5 Catalog No: AG004DML MDL No:
Product Description
Catalog Number:
AG004DML
Chemical Name:
1,2,4-Trioxolane, 3-heptyl-
CAS Number:
88568-90-5
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
3-heptyl-1,2,4-trioxolane
InChI:
InChI=1S/C9H18O3/c1-2-3-4-5-6-7-9-10-8-11-12-9/h9H,2-8H2,1H3
InChI Key:
RCTNEFBRASQFRA-UHFFFAOYSA-N
SMILES:
CCCCCCCC1OCOO1
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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