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Home > Other Heterocycles > 113799-99-8
113799-99-8 | Bicyclo[5.3.3]tridecane
CAS No: 113799-99-8 Catalog No: AG0009P7 MDL No:
Product Description
Catalog Number:
AG0009P7
Chemical Name:
Bicyclo[5.3.3]tridecane
CAS Number:
113799-99-8
Molecular Formula:
C13H24
Molecular Weight:
180.3297
IUPAC Name:
bicyclo[5.3.3]trideca-1(10),7(13),8,11-tetraene
InChI:
InChI=1S/C13H16/c1-2-6-12-8-4-10-13(7-3-1)11-5-9-12/h4-5,8-11H,1-3,6-7H2
InChI Key:
CBHTZONSHAGWBR-UHFFFAOYSA-N
SMILES:
C1CCC2CCCC(CC1)CCC2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.125g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.271g/mol
Monoisotopic Mass:
172.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
4.2
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