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82049-31-8 | 9a,10-dihydrotetrapheno[10,9-b]oxirene-8,8a(8h)-diol
CAS No: 82049-31-8 Catalog No: AG004XIK MDL No:
Product Description
Catalog Number:
AG004XIK
Chemical Name:
9a,10-dihydrotetrapheno[10,9-b]oxirene-8,8a(8h)-diol
CAS Number:
82049-31-8
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
6-oxapentacyclo[9.8.0.03,9.05,7.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-4,5-diol
InChI:
InChI=1S/C18H14O3/c19-17-15-7-11-6-5-10-3-1-2-4-13(10)14(11)8-12(15)9-16-18(17,20)21-16/h1-8,16-17,19-20H,9H2
InChI Key:
WKGRLHIMWUXQBX-UHFFFAOYSA-N
SMILES:
OC1c2cc3ccc4c(c3cc2CC2C1(O)O2)cccc4
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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