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81977-75-5 | 1-Propanone, 1-(2-methylcyclopentyl)-
CAS No: 81977-75-5 Catalog No: AG005GAC MDL No:
Product Description
Catalog Number:
AG005GAC
Chemical Name:
1-Propanone, 1-(2-methylcyclopentyl)-
CAS Number:
81977-75-5
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
1-(2-methylcyclopentyl)propan-1-one
InChI:
InChI=1S/C9H16O/c1-3-9(10)8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3
InChI Key:
YTKCMSLCAQIAQO-UHFFFAOYSA-N
SMILES:
CCC(=O)C1CCCC1C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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