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84629-35-6 | 2-Cyclopenten-1-one, 2-ethenyl-3-methyl-
CAS No: 84629-35-6 Catalog No: AG004Q2U MDL No:
Product Description
Catalog Number:
AG004Q2U
Chemical Name:
2-Cyclopenten-1-one, 2-ethenyl-3-methyl-
CAS Number:
84629-35-6
Molecular Formula:
C8H10O
Molecular Weight:
122.1644
IUPAC Name:
2-ethenyl-3-methylcyclopent-2-en-1-one
InChI:
InChI=1S/C8H10O/c1-3-7-6(2)4-5-8(7)9/h3H,1,4-5H2,2H3
InChI Key:
YPHJAVQISMWQMM-UHFFFAOYSA-N
SMILES:
C=CC1=C(C)CCC1=O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.073g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.167g/mol
Monoisotopic Mass:
122.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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