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88133-91-9 | 9H-Xanthen-9-one, 2,7-dihydroxy-3-methoxy-
CAS No: 88133-91-9 Catalog No: AG004FCD MDL No:
Product Description
Catalog Number:
AG004FCD
Chemical Name:
9H-Xanthen-9-one, 2,7-dihydroxy-3-methoxy-
CAS Number:
88133-91-9
Molecular Formula:
C14H10O5
Molecular Weight:
258.2262
IUPAC Name:
2,7-dihydroxy-3-methoxyxanthen-9-one
InChI:
InChI=1S/C14H10O5/c1-18-13-6-12-9(5-10(13)16)14(17)8-4-7(15)2-3-11(8)19-12/h2-6,15-16H,1H3
InChI Key:
YFBCFQLGUWVEOQ-UHFFFAOYSA-N
SMILES:
COc1cc2oc3ccc(cc3c(=O)c2cc1O)O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.053g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.229g/mol
Monoisotopic Mass:
258.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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