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138893-39-7 | Oxacyclododecan-2-one, 12-pentyl-
CAS No: 138893-39-7 Catalog No: AG0019RU MDL No:
Product Description
Catalog Number:
AG0019RU
Chemical Name:
Oxacyclododecan-2-one, 12-pentyl-
CAS Number:
138893-39-7
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
IUPAC Name:
12-pentyl-oxacyclododecan-2-one
InChI:
InChI=1S/C16H30O2/c1-2-3-9-12-15-13-10-7-5-4-6-8-11-14-16(17)18-15/h15H,2-14H2,1H3
InChI Key:
IGQOPTNWGSJHCD-UHFFFAOYSA-N
SMILES:
CCCCCC1CCCCCCCCCC(=O)O1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.225g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.414g/mol
Monoisotopic Mass:
254.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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