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114882-06-3 | 3-Cyclopentene-1-heptanoic acid, 2-(acetyloxy)-5-oxo-, methyl ester
CAS No: 114882-06-3 Catalog No: AG000FEP MDL No:
Product Description
Catalog Number:
AG000FEP
Chemical Name:
3-Cyclopentene-1-heptanoic acid, 2-(acetyloxy)-5-oxo-, methyl ester
CAS Number:
114882-06-3
Molecular Formula:
C15H22O5
Molecular Weight:
282.3322
IUPAC Name:
methyl 7-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)heptanoate
InChI:
InChI=1S/C15H22O5/c1-11(16)20-14-10-9-13(17)12(14)7-5-3-4-6-8-15(18)19-2/h9-10,12,14H,3-8H2,1-2H3
InChI Key:
BTDUDMGBIDWKJT-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCC1C(=O)C=CC1OC(=O)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.336g/mol
Monoisotopic Mass:
282.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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