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89506-37-6 | Cycloheptanone, 2-(2-oxohexyl)-
CAS No: 89506-37-6 Catalog No: AG00415E MDL No:
Product Description
Catalog Number:
AG00415E
Chemical Name:
Cycloheptanone, 2-(2-oxohexyl)-
CAS Number:
89506-37-6
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
2-(2-oxohexyl)cycloheptan-1-one
InChI:
InChI=1S/C13H22O2/c1-2-3-8-12(14)10-11-7-5-4-6-9-13(11)15/h11H,2-10H2,1H3
InChI Key:
HKOSBNIAPRTRBR-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CC1CCCCCC1=O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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