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209-53-0 | Cyclohepta[cd]benzofuran (8CI,9CI)
CAS No: 209-53-0 Catalog No: AG002K12 MDL No:
Product Description
Catalog Number:
AG002K12
Chemical Name:
Cyclohepta[cd]benzofuran (8CI,9CI)
CAS Number:
209-53-0
Molecular Formula:
C12H8O
Molecular Weight:
168.1913
IUPAC Name:
3-oxatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9,11-hexaene
InChI:
InChI=1S/C12H8O/c1-2-5-10-8-13-11-7-3-6-9(4-1)12(10)11/h1-8H
InChI Key:
LVPPKGKYUKHMAB-UHFFFAOYSA-N
SMILES:
C1=Cc2cccc3c2c(C=C1)co3
UNII:
K506BX049G
NSC Number:
680713
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.195g/mol
Monoisotopic Mass:
168.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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