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117831-19-3 | CITRAL ETHYLENE GLYCOL ACETAL
CAS No: 117831-19-3 Catalog No: AG01B1SE MDL No:MFCD00036641
Product Description
Catalog Number:
AG01B1SE
Chemical Name:
CITRAL ETHYLENE GLYCOL ACETAL
CAS Number:
117831-19-3
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
MDL Number:
MFCD00036641
IUPAC Name:
2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane
InChI:
InChI=1S/C12H20O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,9,12H,4,6-8H2,1-3H3
InChI Key:
KSDZVTNRVWBTFN-UHFFFAOYSA-N
SMILES:
CC(=CC1OCCO1)CCC=C(C)C
EC Number:
266-344-0
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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