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85098-81-3 | 1,3-Dioxolane,2-(3,6-dimethyl-3-cyclohexen-1-yl)-
CAS No: 85098-81-3 Catalog No: AG004RMX MDL No:
Product Description
Catalog Number:
AG004RMX
Chemical Name:
1,3-Dioxolane,2-(3,6-dimethyl-3-cyclohexen-1-yl)-
CAS Number:
85098-81-3
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
2-(3,6-dimethylcyclohex-3-en-1-yl)-1,3-dioxolane
InChI:
InChI=1S/C11H18O2/c1-8-3-4-9(2)10(7-8)11-12-5-6-13-11/h3,9-11H,4-7H2,1-2H3
InChI Key:
HEEXZQAYTWROCH-UHFFFAOYSA-N
SMILES:
CC1=CCC(C(C1)C1OCCO1)C
EC Number:
285-434-0
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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