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16837-94-8 | Cyclododecanone, 2-methyl-
CAS No: 16837-94-8 Catalog No: AG001Y1K MDL No:
Product Description
Catalog Number:
AG001Y1K
Chemical Name:
Cyclododecanone, 2-methyl-
CAS Number:
16837-94-8
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
2-methylcyclododecan-1-one
InChI:
InChI=1S/C13H24O/c1-12-10-8-6-4-2-3-5-7-9-11-13(12)14/h12H,2-11H2,1H3
InChI Key:
JJUNXABENLJLAY-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCC1C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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