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81824-09-1 | 6-Hydroxybenzo(b)fluoranthene
CAS No: 81824-09-1 Catalog No: AG0050CF MDL No:
Product Description
Catalog Number:
AG0050CF
Chemical Name:
6-Hydroxybenzo(b)fluoranthene
CAS Number:
81824-09-1
Molecular Formula:
C20H12O
Molecular Weight:
268.3087
IUPAC Name:
pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ol
InChI:
InChI=1S/C20H12O/c21-13-8-9-15-17-7-3-6-16-14-5-2-1-4-12(14)10-19(20(16)17)18(15)11-13/h1-11,21H
InChI Key:
BNNFFFAEJBMPAY-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c1cc3ccccc3c3c1c2ccc3
Properties
Complexity:
405
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:
1
Isotope Atom Count:
0
Molecular Weight:
268.315g/mol
Monoisotopic Mass:
268.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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