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504-02-9 | 1,3-Cyclohexanedione
CAS No: 504-02-9 Catalog No: AG0032LD MDL No:MFCD00001585
Product Description
Catalog Number:
AG0032LD
Chemical Name:
1,3-Cyclohexanedione
CAS Number:
504-02-9
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD00001585
IUPAC Name:
cyclohexane-1,3-dione
InChI:
InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
InChI Key:
HJSLFCCWAKVHIW-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)C1
EC Number:
207-980-0
UNII:
6UK3D2BXJT
NSC Number:
57477
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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