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85410-16-8 | Cyclopentanone, isooctyl- (9CI)
CAS No: 85410-16-8 Catalog No: AG004K9L MDL No:
Product Description
Catalog Number:
AG004K9L
Chemical Name:
Cyclopentanone, isooctyl- (9CI)
CAS Number:
85410-16-8
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
2-(6-methylheptyl)cyclopentan-1-one
InChI:
InChI=1S/C13H24O/c1-11(2)7-4-3-5-8-12-9-6-10-13(12)14/h11-12H,3-10H2,1-2H3
InChI Key:
MCQBMVHGBMKXGO-UHFFFAOYSA-N
SMILES:
CC(CCCCCC1CCCC1=O)C
EC Number:
287-190-0
Properties
Complexity:
172
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:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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