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128097-37-0 | Cycloheptanone, 2-[(2-oxocyclohexyl)methyl]-
CAS No: 128097-37-0 Catalog No: AG000XSH MDL No:
Product Description
Catalog Number:
AG000XSH
Chemical Name:
Cycloheptanone, 2-[(2-oxocyclohexyl)methyl]-
CAS Number:
128097-37-0
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
2-[(2-oxocyclohexyl)methyl]cycloheptan-1-one
InChI:
InChI=1S/C14H22O2/c15-13-8-3-1-2-6-11(13)10-12-7-4-5-9-14(12)16/h11-12H,1-10H2
InChI Key:
YKMCOPPQDJJCOP-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1CC1CCCCCC1=O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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