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26551-18-8 | 1,3-Dioxolane, 2-butyl-4-methyl-, cis- (8CI,9CI)
CAS No: 26551-18-8 Catalog No: AG002TOE MDL No:
Product Description
Catalog Number:
AG002TOE
Chemical Name:
1,3-Dioxolane, 2-butyl-4-methyl-, cis- (8CI,9CI)
CAS Number:
26551-18-8
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
IUPAC Name:
(2R,4S)-2-butyl-4-methyl-1,3-dioxolane
InChI:
InChI=1S/C8H16O2/c1-3-4-5-8-9-6-7(2)10-8/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChI Key:
WTZJUXYVLRJTMQ-JGVFFNPUSA-N
SMILES:
CCCC[C@@H]1OC[C@@H](O1)C
Properties
Complexity:
93.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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