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141119-97-3 | 7-Cyclododecene-1,2-dione, (Z)- (9CI)
CAS No: 141119-97-3 Catalog No: AG001FXO MDL No:
Product Description
Catalog Number:
AG001FXO
Chemical Name:
7-Cyclododecene-1,2-dione, (Z)- (9CI)
CAS Number:
141119-97-3
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
cyclododec-7-ene-1,2-dione
InChI:
InChI=1S/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h1-2H,3-10H2
InChI Key:
OTYFUYSONWZNHW-UHFFFAOYSA-N
SMILES:
O=C1CCCC/C=C\CCCCC1=O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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