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88061-78-3 | Cyclopentanone, 2-[1-(acetyloxy)-4-pentenylidene]-
CAS No: 88061-78-3 Catalog No: AG004IEB MDL No:
Product Description
Catalog Number:
AG004IEB
Chemical Name:
Cyclopentanone, 2-[1-(acetyloxy)-4-pentenylidene]-
CAS Number:
88061-78-3
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
1-(2-oxocyclopentylidene)pent-4-enyl acetate
InChI:
InChI=1S/C12H16O3/c1-3-4-8-12(15-9(2)13)10-6-5-7-11(10)14/h3H,1,4-8H2,2H3
InChI Key:
STXSZHWBOZRSBP-UHFFFAOYSA-N
SMILES:
C=CCCC(=C1CCCC1=O)OC(=O)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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