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23330-10-1 | 2H-Pyran-2-one, 6-(acetyloxy)tetrahydro-5-pentyl-
CAS No: 23330-10-1 Catalog No: AG002MVP MDL No:
Product Description
Catalog Number:
AG002MVP
Chemical Name:
2H-Pyran-2-one, 6-(acetyloxy)tetrahydro-5-pentyl-
CAS Number:
23330-10-1
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
IUPAC Name:
(6-oxo-3-pentyloxan-2-yl) acetate
InChI:
InChI=1S/C12H20O4/c1-3-4-5-6-10-7-8-11(14)16-12(10)15-9(2)13/h10,12H,3-8H2,1-2H3
InChI Key:
XXBSZTCPBJFCGA-UHFFFAOYSA-N
SMILES:
CCCCCC1CCC(=O)OC1OC(=O)C
NSC Number:
126132
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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