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88841-99-0 | Oxacyclododec-11-en-5-one, (E)-
CAS No: 88841-99-0 Catalog No: AG004AII MDL No:
Product Description
Catalog Number:
AG004AII
Chemical Name:
Oxacyclododec-11-en-5-one, (E)-
CAS Number:
88841-99-0
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
1-oxacyclododec-11-en-5-one
InChI:
InChI=1S/C11H18O2/c12-11-7-4-2-1-3-5-9-13-10-6-8-11/h5,9H,1-4,6-8,10H2
InChI Key:
NLRGSPHMBWRFNM-UHFFFAOYSA-N
SMILES:
O=C1CCCCCC=COCCC1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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