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17792-13-1 | Acetic acid, 2-(9H-xanthen-9-ylidene)-, ethyl ester
CAS No: 17792-13-1 Catalog No: AG0025MK MDL No:
Product Description
Catalog Number:
AG0025MK
Chemical Name:
Acetic acid, 2-(9H-xanthen-9-ylidene)-, ethyl ester
CAS Number:
17792-13-1
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
ethyl 2-xanthen-9-ylideneacetate
InChI:
InChI=1S/C17H14O3/c1-2-19-17(18)11-14-12-7-3-5-9-15(12)20-16-10-6-4-8-13(14)16/h3-11H,2H2,1H3
InChI Key:
HMWBEURJPDOFAS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C1c2ccccc2Oc2c1cccc2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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