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252-49-3 | 1,4-Methanobiphenylene (8CI,9CI)
CAS No: 252-49-3 Catalog No: AG002QVZ MDL No:
Product Description
Catalog Number:
AG002QVZ
Chemical Name:
1,4-Methanobiphenylene (8CI,9CI)
CAS Number:
252-49-3
Molecular Formula:
C13H8
Molecular Weight:
164.2026
IUPAC Name:
tetracyclo[8.2.1.02,9.03,8]trideca-1,3,5,7,9,11-hexaene
InChI:
InChI=1S/C13H8/c1-2-4-11-10(3-1)12-8-5-6-9(7-8)13(11)12/h1-6H,7H2
InChI Key:
DJHWISAUJXHIEC-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1c2c2Cc1cc2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.207g/mol
Monoisotopic Mass:
164.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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