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850639-67-7 | 1-Pyrenol, 2-methoxy-
CAS No: 850639-67-7 Catalog No: AG004S7P MDL No:
Product Description
Catalog Number:
AG004S7P
Chemical Name:
1-Pyrenol, 2-methoxy-
CAS Number:
850639-67-7
Molecular Formula:
C17H12O2
Molecular Weight:
248.2760
IUPAC Name:
2-methoxypyren-1-ol
InChI:
InChI=1S/C17H12O2/c1-19-14-9-12-6-5-10-3-2-4-11-7-8-13(17(14)18)16(12)15(10)11/h2-9,18H,1H3
InChI Key:
FMBJYIRJQXQPEO-UHFFFAOYSA-N
SMILES:
COc1cc2ccc3c4c2c(c1O)ccc4ccc3
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.281g/mol
Monoisotopic Mass:
248.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Evidence for the existence of PAH-quinone reductase and catechol-O-methyltransferase in Mycobacterium vanbaalenii PYR-1. | Journal of industrial microbiology & biotechnology 20041201 |
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