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159853-36-8

159853-36-8 | 1H-Phenalen-1-one, 2-hydroxy-4-(4-methoxyphenyl)-

CAS No: 159853-36-8 Catalog No: AG001RG8 MDL No:

Product Description

Catalog Number:
AG001RG8
Chemical Name:
1H-Phenalen-1-one, 2-hydroxy-4-(4-methoxyphenyl)-
CAS Number:
159853-36-8
Molecular Formula:
C20H14O3
Molecular Weight:
302.3234
IUPAC Name:
2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one
InChI:
InChI=1S/C20H14O3/c1-23-14-8-5-12(6-9-14)15-10-7-13-3-2-4-16-19(13)17(15)11-18(21)20(16)22/h2-11,21H,1H3
InChI Key:
PVZKBQMWQRUUFI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccc2c3c1C=C(O)C(=O)c3ccc2

Properties

Complexity:
489  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.094g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
302.329g/mol
Monoisotopic Mass:
302.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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