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249-99-0 | Cyclobuta[a]naphthalene
CAS No: 249-99-0 Catalog No: AG002PTB MDL No:
Product Description
Catalog Number:
AG002PTB
Chemical Name:
Cyclobuta[a]naphthalene
CAS Number:
249-99-0
Molecular Formula:
C12H8
Molecular Weight:
152.1919
IUPAC Name:
cyclobuta[a]naphthalene
InChI:
InChI=1S/C12H8/c1-2-4-11-9(3-1)5-6-10-7-8-12(10)11/h1-8H
InChI Key:
OORCVVOPPXUJSJ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1C=Cc1cc2
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.196g/mol
Monoisotopic Mass:
152.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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