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114215-06-4 | 3,7-Cyclododecadien-1-one
CAS No: 114215-06-4 Catalog No: AG000AU2 MDL No:
Product Description
Catalog Number:
AG000AU2
Chemical Name:
3,7-Cyclododecadien-1-one
CAS Number:
114215-06-4
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
cyclododeca-3,7-dien-1-one
InChI:
InChI=1S/C12H18O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-2,7,9H,3-6,8,10-11H2
InChI Key:
QPNRIQZDIQJREU-UHFFFAOYSA-N
SMILES:
O=C1CCCCC=CCCC=CC1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3
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