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14950-46-0 | 1,4-Cycloheptanedione
CAS No: 14950-46-0 Catalog No: AG001LRJ MDL No:
Product Description
Catalog Number:
AG001LRJ
Chemical Name:
1,4-Cycloheptanedione
CAS Number:
14950-46-0
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
cycloheptane-1,4-dione
InChI:
InChI=1S/C7H10O2/c8-6-2-1-3-7(9)5-4-6/h1-5H2
InChI Key:
JFZCBLXXTGLKOG-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)CC1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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