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115621-78-8 | 1,3-Dioxolane, 2-[(2,2,4-trimethyl-3-cyclopenten-1-yl)methyl]-
CAS No: 115621-78-8 Catalog No: AG000G92 MDL No:
Product Description
Catalog Number:
AG000G92
Chemical Name:
1,3-Dioxolane, 2-[(2,2,4-trimethyl-3-cyclopenten-1-yl)methyl]-
CAS Number:
115621-78-8
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
2-[(2,2,4-trimethylcyclopent-3-en-1-yl)methyl]-1,3-dioxolane
InChI:
InChI=1S/C12H20O2/c1-9-6-10(12(2,3)8-9)7-11-13-4-5-14-11/h8,10-11H,4-7H2,1-3H3
InChI Key:
PRIQFJDRWWTYKS-UHFFFAOYSA-N
SMILES:
CC1=CC(C(C1)CC1OCCO1)(C)C
Properties
Complexity:
237
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:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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