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89216-79-5 | 9H-Xanthene-3-carboxylic acid, 7-(3-hydroxypropoxy)-9-oxo-
CAS No: 89216-79-5 Catalog No: AG00460C MDL No:
Product Description
Catalog Number:
AG00460C
Chemical Name:
9H-Xanthene-3-carboxylic acid, 7-(3-hydroxypropoxy)-9-oxo-
CAS Number:
89216-79-5
Molecular Formula:
C17H14O6
Molecular Weight:
314.2895
IUPAC Name:
7-(3-hydroxypropoxy)-9-oxoxanthene-3-carboxylic acid
InChI:
InChI=1S/C17H14O6/c18-6-1-7-22-11-3-5-14-13(9-11)16(19)12-4-2-10(17(20)21)8-15(12)23-14/h2-5,8-9,18H,1,6-7H2,(H,20,21)
InChI Key:
SVCTZLLXDXAINX-UHFFFAOYSA-N
SMILES:
OCCCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)O
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.293g/mol
Monoisotopic Mass:
314.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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