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87227-35-8 | Oxacyclododec-3-en-2-one, 12-methyl-, (E)-
CAS No: 87227-35-8 Catalog No: AG004JDV MDL No:
Product Description
Catalog Number:
AG004JDV
Chemical Name:
Oxacyclododec-3-en-2-one, 12-methyl-, (E)-
CAS Number:
87227-35-8
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
12-methyl-1-oxacyclododec-3-en-2-one
InChI:
InChI=1S/C12H20O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h8,10-11H,2-7,9H2,1H3
InChI Key:
VFKYUNPLGDFGQW-UHFFFAOYSA-N
SMILES:
CC1CCCCCCCC=CC(=O)O1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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