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1601-00-9 | Ethanone, 1-(2-methylcyclopentyl)-
CAS No: 1601-00-9 Catalog No: AG001RO4 MDL No:
Product Description
Catalog Number:
AG001RO4
Chemical Name:
Ethanone, 1-(2-methylcyclopentyl)-
CAS Number:
1601-00-9
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
1-(2-methylcyclopentyl)ethanone
InChI:
InChI=1S/C8H14O/c1-6-4-3-5-8(6)7(2)9/h6,8H,3-5H2,1-2H3
InChI Key:
SIXBTZFYFSHXJI-UHFFFAOYSA-N
SMILES:
CC1CCCC1C(=O)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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