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74900-27-9 | 2,6,7-Trioxabicyclo[2.2.2]octane, 1-(3-chloropropyl)-4-methyl-
CAS No: 74900-27-9 Catalog No: AG00588I MDL No:
Product Description
Catalog Number:
AG00588I
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane, 1-(3-chloropropyl)-4-methyl-
CAS Number:
74900-27-9
Molecular Formula:
C9H15ClO3
Molecular Weight:
206.6666
IUPAC Name:
1-(3-chloropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C9H15ClO3/c1-8-5-11-9(12-6-8,13-7-8)3-2-4-10/h2-7H2,1H3
InChI Key:
ADKFUYMZIYKTRH-UHFFFAOYSA-N
SMILES:
ClCCCC12OCC(CO1)(CO2)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.666g/mol
Monoisotopic Mass:
206.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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