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198-10-7 | Benzo[b]phenanthro[1,2-d]furan
CAS No: 198-10-7 Catalog No: AG002B7S MDL No:
Product Description
Catalog Number:
AG002B7S
Chemical Name:
Benzo[b]phenanthro[1,2-d]furan
CAS Number:
198-10-7
Molecular Formula:
C20H12O
Molecular Weight:
268.3087
IUPAC Name:
9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
InChI:
InChI=1S/C20H12O/c1-2-6-14-13(5-1)9-10-16-15(14)11-12-19-20(16)17-7-3-4-8-18(17)21-19/h1-12H
InChI Key:
XDTAZTLSTCJRTK-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1o2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.315g/mol
Monoisotopic Mass:
268.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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