1 3-Cycloheptanedione 97


Chemical Name: 1 3-Cycloheptanedione 97
CAS Number: 1194-18-9
Product Number: AG000IOV(AGN-PC-0WA3ED)
Synonyms:
MDL No:
Molecular Formula: C7H10O2
Molecular Weight: 126.1531

Identification/Properties


Properties
BP:
250.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.483(lit.)
Computed Properties
Molecular Weight:
126.155g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
126.068g/mol
Monoisotopic Mass:
126.068g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
122
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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