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17874-84-9

17874-84-9 | Cyclododecanone, 2-benzoyl-

CAS No: 17874-84-9 Catalog No: AG00269N MDL No:

Product Description

Catalog Number:
AG00269N
Chemical Name:
Cyclododecanone, 2-benzoyl-
CAS Number:
17874-84-9
Molecular Formula:
C19H26O2
Molecular Weight:
286.4085
IUPAC Name:
2-benzoylcyclododecan-1-one
InChI:
InChI=1S/C19H26O2/c20-18-15-11-6-4-2-1-3-5-10-14-17(18)19(21)16-12-8-7-9-13-16/h7-9,12-13,17H,1-6,10-11,14-15H2
InChI Key:
KYKFKHJDOGHZIA-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCC1C(=O)c1ccccc1

Properties

Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.193g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.415g/mol
Monoisotopic Mass:
286.193g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  

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