Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 4-oxo-


Chemical Name: Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 4-oxo-
CAS Number: 56674-87-4
Product Number: AG00332P(AGN-PC-0JW5EV)
Synonyms:
MDL No: MFCD01825769
Molecular Formula: C11H14O3
Molecular Weight: 194.2271

Identification/Properties


Properties
MP:
169.5-171.0℃(Solv: ethyl ether (60-29-7))
BP:
367.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
194.23g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
194.094g/mol
Monoisotopic Mass:
194.094g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
303
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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