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24599-57-3 | 2,4-Cyclohexadien-1-one
CAS No: 24599-57-3 Catalog No: AG002OPI MDL No:
Product Description
Catalog Number:
AG002OPI
Chemical Name:
2,4-Cyclohexadien-1-one
CAS Number:
24599-57-3
Molecular Formula:
C6H6O
Molecular Weight:
94.1112
InChI:
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-4H,5H2
InChI Key:
WQPDQJCBHQPNCZ-UHFFFAOYSA-N
SMILES:
O=C1CC=CC=C1
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.042g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.113g/mol
Monoisotopic Mass:
94.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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