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89521-49-3 | 2-Propyn-1-one, 1-(1-methylcyclopentyl)-
CAS No: 89521-49-3 Catalog No: AG0040VA MDL No:
Product Description
Catalog Number:
AG0040VA
Chemical Name:
2-Propyn-1-one, 1-(1-methylcyclopentyl)-
CAS Number:
89521-49-3
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
1-(1-methylcyclopentyl)prop-2-yn-1-one
InChI:
InChI=1S/C9H12O/c1-3-8(10)9(2)6-4-5-7-9/h1H,4-7H2,2H3
InChI Key:
WOAMYUUHWFYUJS-UHFFFAOYSA-N
SMILES:
C#CC(=O)C1(C)CCCC1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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