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25112-86-1 | 2-Cyclopenten-1-one, 3-ethoxy-2-methyl-
CAS No: 25112-86-1 Catalog No: AG002QJI MDL No:MFCD02093670
Product Description
Catalog Number:
AG002QJI
Chemical Name:
2-Cyclopenten-1-one, 3-ethoxy-2-methyl-
CAS Number:
25112-86-1
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD02093670
IUPAC Name:
3-ethoxy-2-methylcyclopent-2-en-1-one
InChI:
InChI=1S/C8H12O2/c1-3-10-8-5-4-7(9)6(8)2/h3-5H2,1-2H3
InChI Key:
LNFQBEVBVGDZOJ-UHFFFAOYSA-N
SMILES:
CC1=C(CCC1=O)OCC
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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