Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-carboxy-


Chemical Name: Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-carboxy-
CAS Number: 56531-58-9
Product Number: AG003J5W(AGN-PC-0JWIN2)
Synonyms:
MDL No:
Molecular Formula: C13H18O4
Molecular Weight: 238.2796

Identification/Properties


Properties
MP:
91-95 °C
BP:
438.7 °C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
238.283g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
238.121g/mol
Monoisotopic Mass:
238.121g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
373
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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