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114347-16-9 | 4,8-Cyclododecadien-1-one, 12-hydroxy-, (E,Z)- (9CI)
CAS No: 114347-16-9 Catalog No: AG000B50 MDL No:
Product Description
Catalog Number:
AG000B50
Chemical Name:
4,8-Cyclododecadien-1-one, 12-hydroxy-, (E,Z)- (9CI)
CAS Number:
114347-16-9
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
12-hydroxycyclododeca-4,8-dien-1-one
InChI:
InChI=1S/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3-6,11,13H,1-2,7-10H2
InChI Key:
MRAVRTGSMRPGIO-UHFFFAOYSA-N
SMILES:
O=C1CC/C=C/CC/C=C\CCC1O
Properties
Complexity:
229
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:
1
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
2.2
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