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161974-19-2 | 4-Penten-2-one, 3-ethoxy-4-methyl-
CAS No: 161974-19-2 Catalog No: AG001SKN MDL No:
Product Description
Catalog Number:
AG001SKN
Chemical Name:
4-Penten-2-one, 3-ethoxy-4-methyl-
CAS Number:
161974-19-2
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
3-ethoxy-4-methylpent-4-en-2-one
InChI:
InChI=1S/C8H14O2/c1-5-10-8(6(2)3)7(4)9/h8H,2,5H2,1,3-4H3
InChI Key:
WJIDXBYNTHNCQG-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)C)C(=C)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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