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89217-42-5 | 9H-Xanthene-3-carboxylic acid, 7-[2-[2-(acetyloxy)ethoxy]ethoxy]-9-oxo-
CAS No: 89217-42-5 Catalog No: AG0044PW MDL No:
Product Description
Catalog Number:
AG0044PW
Chemical Name:
9H-Xanthene-3-carboxylic acid, 7-[2-[2-(acetyloxy)ethoxy]ethoxy]-9-oxo-
CAS Number:
89217-42-5
Molecular Formula:
C20H18O8
Molecular Weight:
386.3521
IUPAC Name:
7-[2-(2-acetyloxyethoxy)ethoxy]-9-oxoxanthene-3-carboxylic acid
InChI:
InChI=1S/C20H18O8/c1-12(21)26-8-6-25-7-9-27-14-3-5-17-16(11-14)19(22)15-4-2-13(20(23)24)10-18(15)28-17/h2-5,10-11H,6-9H2,1H3,(H,23,24)
InChI Key:
XABJSZJFBPVOAM-UHFFFAOYSA-N
SMILES:
CC(=O)OCCOCCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)O
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.1g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.356g/mol
Monoisotopic Mass:
386.1g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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