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87842-55-5 | 1,3-Dioxolane, 2-[2-(1-cyclohepten-1-yl)ethyl]-2-methyl-
CAS No: 87842-55-5 Catalog No: AG004JG5 MDL No:
Product Description
Catalog Number:
AG004JG5
Chemical Name:
1,3-Dioxolane, 2-[2-(1-cyclohepten-1-yl)ethyl]-2-methyl-
CAS Number:
87842-55-5
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
2-[2-(cyclohepten-1-yl)ethyl]-2-methyl-1,3-dioxolane
InChI:
InChI=1S/C13H22O2/c1-13(14-10-11-15-13)9-8-12-6-4-2-3-5-7-12/h6H,2-5,7-11H2,1H3
InChI Key:
BKNYBOUQJSNHRN-UHFFFAOYSA-N
SMILES:
CC1(OCCO1)CCC1=CCCCCC1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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