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141766-17-8 | 9H-Xanthen-9-one, 5-hydroxy-2-methoxy-
CAS No: 141766-17-8 Catalog No: AG001H0F MDL No:
Product Description
Catalog Number:
AG001H0F
Chemical Name:
9H-Xanthen-9-one, 5-hydroxy-2-methoxy-
CAS Number:
141766-17-8
Molecular Formula:
C14H10O4
Molecular Weight:
242.2268
IUPAC Name:
5-hydroxy-2-methoxyxanthen-9-one
InChI:
InChI=1S/C14H10O4/c1-17-8-5-6-12-10(7-8)13(16)9-3-2-4-11(15)14(9)18-12/h2-7,15H,1H3
InChI Key:
HEOWOJWZMKMTLX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)c1c(o2)c(O)ccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.23g/mol
Monoisotopic Mass:
242.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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