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1568-99-6 | 1,3-Dioxolane, 2-ethyl-4-methyl-, (2R,4S)-rel-
CAS No: 1568-99-6 Catalog No: AG001P0R MDL No:
Product Description
Catalog Number:
AG001P0R
Chemical Name:
1,3-Dioxolane, 2-ethyl-4-methyl-, (2R,4S)-rel-
CAS Number:
1568-99-6
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
(2R,4S)-2-ethyl-4-methyl-1,3-dioxolane
InChI:
InChI=1S/C6H12O2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChI Key:
CSZCLQLJVFLXLI-NTSWFWBYSA-N
SMILES:
CC[C@@H]1OC[C@@H](O1)C
EC Number:
605-074-3
Properties
Complexity:
72.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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