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84812-68-0 | 3-PENTYLCYCLOPENTYL BUTYRATE
CAS No: 84812-68-0 Catalog No: AG004NFE MDL No:
Product Description
Catalog Number:
AG004NFE
Chemical Name:
3-PENTYLCYCLOPENTYL BUTYRATE
CAS Number:
84812-68-0
Molecular Formula:
C14H26O2
Molecular Weight:
226.3550
IUPAC Name:
(3-pentylcyclopentyl) butanoate
InChI:
InChI=1S/C14H26O2/c1-3-5-6-8-12-9-10-13(11-12)16-14(15)7-4-2/h12-13H,3-11H2,1-2H3
InChI Key:
MVXQRSHCSLQAQL-UHFFFAOYSA-N
SMILES:
CCCCCC1CCC(C1)OC(=O)CCC
EC Number:
284-212-0
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.193g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.36g/mol
Monoisotopic Mass:
226.193g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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