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158474-72-7 | Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester
CAS No: 158474-72-7 Catalog No: AG001Q85 MDL No:
Product Description
Catalog Number:
AG001Q85
Chemical Name:
Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester
CAS Number:
158474-72-7
Molecular Formula:
C15H26O3
Molecular Weight:
254.3651
IUPAC Name:
propyl 2-(3-oxo-2-pentylcyclopentyl)acetate
InChI:
InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3
InChI Key:
IPDFPNNPBMREIF-UHFFFAOYSA-N
SMILES:
CCCCCC1C(CCC1=O)CC(=O)OCCC
EC Number:
605-149-0
UNII:
NE65U4JM0F
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.188g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.37g/mol
Monoisotopic Mass:
254.188g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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