Cyclohex-1-ene-1-carboxylic acid


Chemical Name: Cyclohex-1-ene-1-carboxylic acid
CAS Number: 636-82-8
Product Number: AG003E94(AGN-PC-0WAK17)
Synonyms:
MDL No:
Molecular Formula: C7H10O2
Molecular Weight: 126.1531

Identification/Properties


Properties
MP:
35-39 °C(lit.)
BP:
244.3°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
126.155g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
126.068g/mol
Monoisotopic Mass:
126.068g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
147
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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