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22935-41-7

22935-41-7 | Cyclopentaneheptanoic acid, 3-(2-methoxy-2-oxoacetyl)-2,4,5-trioxo-

CAS No: 22935-41-7 Catalog No: AG002LKO MDL No:

Product Description

Catalog Number:
AG002LKO
Chemical Name:
Cyclopentaneheptanoic acid, 3-(2-methoxy-2-oxoacetyl)-2,4,5-trioxo-
CAS Number:
22935-41-7
Molecular Formula:
C15H18O8
Molecular Weight:
326.2986
IUPAC Name:
7-[3-(2-methoxy-2-oxoacetyl)-2,4,5-trioxocyclopentyl]heptanoic acid
InChI:
InChI=1S/C15H18O8/c1-23-15(22)14(21)10-11(18)8(12(19)13(10)20)6-4-2-3-5-7-9(16)17/h8,10H,2-7H2,1H3,(H,16,17)
InChI Key:
LFMPQNTXQKMBIJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)C1C(=O)C(=O)C(C1=O)CCCCCCC(=O)O

Properties

Complexity:
548  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.1g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.301g/mol
Monoisotopic Mass:
326.1g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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