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89328-31-4 | Oxacyclotridecan-2-one, 13-propyl-
CAS No: 89328-31-4 Catalog No: AG003ZKO MDL No:
Product Description
Catalog Number:
AG003ZKO
Chemical Name:
Oxacyclotridecan-2-one, 13-propyl-
CAS Number:
89328-31-4
Molecular Formula:
C15H28O2
Molecular Weight:
240.3816
IUPAC Name:
13-propyl-oxacyclotridecan-2-one
InChI:
InChI=1S/C15H28O2/c1-2-11-14-12-9-7-5-3-4-6-8-10-13-15(16)17-14/h14H,2-13H2,1H3
InChI Key:
VTMLBCMCCFYSPZ-UHFFFAOYSA-N
SMILES:
CCCC1CCCCCCCCCCC(=O)O1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.209g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.387g/mol
Monoisotopic Mass:
240.209g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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