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10262-84-7 | 1,6-Pyrenediol
CAS No: 10262-84-7 Catalog No: AG0007YW MDL No:
Product Description
Catalog Number:
AG0007YW
Chemical Name:
1,6-Pyrenediol
CAS Number:
10262-84-7
Molecular Formula:
C16H10O2
Molecular Weight:
234.2494
IUPAC Name:
pyrene-1,6-diol
InChI:
InChI=1S/C16H10O2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8,17-18H
InChI Key:
RQJSAJJBBSJUFF-UHFFFAOYSA-N
SMILES:
Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.254g/mol
Monoisotopic Mass:
234.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| 1-Methoxypyrene and 1,6-dimethoxypyrene: two novel metabolites in fungal metabolism of polycyclic aromatic hydrocarbons. | Archives of microbiology 19970501 |
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