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13739-05-4

13739-05-4 | 9H-Xanthen-9-one, 1,7-bis(acetyloxy)-

CAS No: 13739-05-4 Catalog No: AG00138D MDL No:

Product Description

Catalog Number:
AG00138D
Chemical Name:
9H-Xanthen-9-one, 1,7-bis(acetyloxy)-
CAS Number:
13739-05-4
Molecular Formula:
C17H12O6
Molecular Weight:
312.2736
IUPAC Name:
(8-acetyloxy-9-oxoxanthen-2-yl) acetate
InChI:
InChI=1S/C17H12O6/c1-9(18)21-11-6-7-13-12(8-11)17(20)16-14(22-10(2)19)4-3-5-15(16)23-13/h3-8H,1-2H3
InChI Key:
YNOWOHHXCHETHN-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1)c(=O)c1c(o2)cccc1OC(=O)C

Properties

Complexity:
501  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.063g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.277g/mol
Monoisotopic Mass:
312.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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