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23535-00-4 | Cyclopentaneheptanoic acid, 2,3,5-trioxo-, ethyl ester
CAS No: 23535-00-4 Catalog No: AG002NMI MDL No:
Product Description
Catalog Number:
AG002NMI
Chemical Name:
Cyclopentaneheptanoic acid, 2,3,5-trioxo-, ethyl ester
CAS Number:
23535-00-4
Molecular Formula:
C14H20O5
Molecular Weight:
268.3056
IUPAC Name:
ethyl 7-(2,3,5-trioxocyclopentyl)heptanoate
InChI:
InChI=1S/C14H20O5/c1-2-19-13(17)8-6-4-3-5-7-10-11(15)9-12(16)14(10)18/h10H,2-9H2,1H3
InChI Key:
YFCGHQLWNSBIBL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC1C(=O)CC(=O)C1=O
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.309g/mol
Monoisotopic Mass:
268.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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