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121590-82-7 | 2-Cyclopenten-1-one, 3-ethynyl-2-methyl-
CAS No: 121590-82-7 Catalog No: AG0015D6 MDL No:MFCD24690409
Product Description
Catalog Number:
AG0015D6
Chemical Name:
2-Cyclopenten-1-one, 3-ethynyl-2-methyl-
CAS Number:
121590-82-7
Molecular Formula:
C8H8O
Molecular Weight:
120.1485
MDL Number:
MFCD24690409
IUPAC Name:
3-ethynyl-2-methylcyclopent-2-en-1-one
InChI:
InChI=1S/C8H8O/c1-3-7-4-5-8(9)6(7)2/h1H,4-5H2,2H3
InChI Key:
KUQNFYLRUYOEDS-UHFFFAOYSA-N
SMILES:
C#CC1=C(C)C(=O)CC1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.151g/mol
Monoisotopic Mass:
120.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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