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88498-83-3 | 9H-Xanthen-9-one, 3-hydroxy-2-(2-propenyl)-
CAS No: 88498-83-3 Catalog No: AG0049AA MDL No:
Product Description
Catalog Number:
AG0049AA
Chemical Name:
9H-Xanthen-9-one, 3-hydroxy-2-(2-propenyl)-
CAS Number:
88498-83-3
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
IUPAC Name:
3-hydroxy-2-prop-2-enylxanthen-9-one
InChI:
InChI=1S/C16H12O3/c1-2-5-10-8-12-15(9-13(10)17)19-14-7-4-3-6-11(14)16(12)18/h2-4,6-9,17H,1,5H2
InChI Key:
JQTUECSFWZMIEF-UHFFFAOYSA-N
SMILES:
C=CCc1cc2c(cc1O)oc1c(c2=O)cccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.269g/mol
Monoisotopic Mass:
252.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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