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123184-16-7 | 1-Hexen-3-one, 4-ethyl-
CAS No: 123184-16-7 Catalog No: AG000K4P MDL No:
Product Description
Catalog Number:
AG000K4P
Chemical Name:
1-Hexen-3-one, 4-ethyl-
CAS Number:
123184-16-7
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
4-ethylhex-1-en-3-one
InChI:
InChI=1S/C8H14O/c1-4-7(5-2)8(9)6-3/h6-7H,3-5H2,1-2H3
InChI Key:
MPOILDLJWJPUHA-UHFFFAOYSA-N
SMILES:
CCC(C(=O)C=C)CC
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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