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28853-23-8 | 3H-Xanthen-3-one, [(2-hydroxyphenyl)methyl]- (9CI)
CAS No: 28853-23-8 Catalog No: AG002WUF MDL No:
Product Description
Catalog Number:
AG002WUF
Chemical Name:
3H-Xanthen-3-one, [(2-hydroxyphenyl)methyl]- (9CI)
CAS Number:
28853-23-8
Molecular Formula:
C20H14O3
Molecular Weight:
302.3234
IUPAC Name:
1-[(2-hydroxyphenyl)methyl]xanthen-3-one
InChI:
InChI=1S/C20H14O3/c21-16-10-15(9-13-5-1-3-7-18(13)22)17-11-14-6-2-4-8-19(14)23-20(17)12-16/h1-8,10-12,22H,9H2
InChI Key:
SJXMNRMVCVYNCT-UHFFFAOYSA-N
SMILES:
O=c1cc(Cc2ccccc2O)c2c(c1)oc1c(c2)cccc1
Properties
Complexity:
584
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:
3.2
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