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89217-32-3 | 9H-Xanthene-3-carboxylic acid, 7-[2-(acetyloxy)ethoxy]-9-oxo-
CAS No: 89217-32-3 Catalog No: AG0044YY MDL No:
Product Description
Catalog Number:
AG0044YY
Chemical Name:
9H-Xanthene-3-carboxylic acid, 7-[2-(acetyloxy)ethoxy]-9-oxo-
CAS Number:
89217-32-3
Molecular Formula:
C18H14O7
Molecular Weight:
342.2996
IUPAC Name:
7-(2-acetyloxyethoxy)-9-oxoxanthene-3-carboxylic acid
InChI:
InChI=1S/C18H14O7/c1-10(19)23-6-7-24-12-3-5-15-14(9-12)17(20)13-4-2-11(18(21)22)8-16(13)25-15/h2-5,8-9H,6-7H2,1H3,(H,21,22)
InChI Key:
NXKHMFFQJSWZNV-UHFFFAOYSA-N
SMILES:
CC(=O)OCCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)O
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.074g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.303g/mol
Monoisotopic Mass:
342.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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