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277-05-4 | Tricyclo[5.1.0.02,4]octane
CAS No: 277-05-4 Catalog No: AG002UIX MDL No:
Product Description
Catalog Number:
AG002UIX
Chemical Name:
Tricyclo[5.1.0.02,4]octane
CAS Number:
277-05-4
Molecular Formula:
C8H12
Molecular Weight:
108.1809
IUPAC Name:
tricyclo[5.1.0.02,4]octane
InChI:
InChI=1S/C8H12/c1-2-6-4-8(6)7-3-5(1)7/h5-8H,1-4H2
InChI Key:
XQEJJLIDZZEQHO-UHFFFAOYSA-N
SMILES:
C1CC2CC2C2C1C2
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.094g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.184g/mol
Monoisotopic Mass:
108.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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