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204134-70-3 | 1H-Phenalen-1-one, 9-(4-hydroxyphenyl)-2-methoxy-
CAS No: 204134-70-3 Catalog No: AG0029AC MDL No:
Product Description
Catalog Number:
AG0029AC
Chemical Name:
1H-Phenalen-1-one, 9-(4-hydroxyphenyl)-2-methoxy-
CAS Number:
204134-70-3
Molecular Formula:
C20H14O3
Molecular Weight:
302.3234
IUPAC Name:
9-(4-hydroxyphenyl)-2-methoxyphenalen-1-one
InChI:
InChI=1S/C20H14O3/c1-23-17-11-14-4-2-3-13-7-10-16(19(18(13)14)20(17)22)12-5-8-15(21)9-6-12/h2-11,21H,1H3
InChI Key:
PXMSSFOVGYLJLV-UHFFFAOYSA-N
SMILES:
COC1=Cc2cccc3c2c(C1=O)c(cc3)c1ccc(cc1)O
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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