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82056-13-1 | 2,3-dihydrotetraphene-2,3,4-triol
CAS No: 82056-13-1 Catalog No: AG005CF5 MDL No:
Product Description
Catalog Number:
AG005CF5
Chemical Name:
2,3-dihydrotetraphene-2,3,4-triol
CAS Number:
82056-13-1
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
2,3-dihydrobenzo[a]anthracene-2,3,4-triol
InChI:
InChI=1S/C18H14O3/c19-16-9-15-13(17(20)18(16)21)6-5-12-7-10-3-1-2-4-11(10)8-14(12)15/h1-9,16,18-21H
InChI Key:
PTKNDNAZUIZMJZ-UHFFFAOYSA-N
SMILES:
OC1C=c2c3cc4ccccc4cc3ccc2=C(C1O)O
Properties
Complexity:
531
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:
3
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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