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136868-92-3 | 3H-Xanthen-3-one, 9-(3-aminophenyl)-2,6,7-trihydroxy-
CAS No: 136868-92-3 Catalog No: AG0012I8 MDL No:
Product Description
Catalog Number:
AG0012I8
Chemical Name:
3H-Xanthen-3-one, 9-(3-aminophenyl)-2,6,7-trihydroxy-
CAS Number:
136868-92-3
Molecular Formula:
C19H13NO5
Molecular Weight:
335.3102
IUPAC Name:
9-(3-aminophenyl)-2,6,7-trihydroxyxanthen-3-one
InChI:
InChI=1S/C19H13NO5/c20-10-3-1-2-9(4-10)19-11-5-13(21)15(23)7-17(11)25-18-8-16(24)14(22)6-12(18)19/h1-8,21-23H,20H2
InChI Key:
ZCZCFVZEIQXDOJ-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1c2cc(O)c(=O)cc2oc2c1cc(O)c(c2)O
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.079g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
335.315g/mol
Monoisotopic Mass:
335.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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