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89217-47-0 | Butanoic acid, 2-[(6-cyano-9-oxo-9H-xanthen-2-yl)oxy]ethyl ester
CAS No: 89217-47-0 Catalog No: AG0044YX MDL No:
Product Description
Catalog Number:
AG0044YX
Chemical Name:
Butanoic acid, 2-[(6-cyano-9-oxo-9H-xanthen-2-yl)oxy]ethyl ester
CAS Number:
89217-47-0
Molecular Formula:
C20H17NO5
Molecular Weight:
351.3527
IUPAC Name:
2-(6-cyano-9-oxoxanthen-2-yl)oxyethyl butanoate
InChI:
InChI=1S/C20H17NO5/c1-2-3-19(22)25-9-8-24-14-5-7-17-16(11-14)20(23)15-6-4-13(12-21)10-18(15)26-17/h4-7,10-11H,2-3,8-9H2,1H3
InChI Key:
DZKSLOAIVMMAIG-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C#N
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.111g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.358g/mol
Monoisotopic Mass:
351.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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