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4771-80-6 | 3-Cyclohexenecarboxylic Acid
CAS No: 4771-80-6 Catalog No: AG0033OT MDL No:MFCD00013781
Product Description
Catalog Number:
AG0033OT
Chemical Name:
3-Cyclohexenecarboxylic Acid
CAS Number:
4771-80-6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00013781
IUPAC Name:
cyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)
InChI Key:
VUSWCWPCANWBFG-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC=CC1
EC Number:
225-314-7
Properties
Complexity:
138
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:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| catena-Poly[[trimethyl-tin(IV)]-μ-cyclo-hex-3-ene-1-carboxyl-ato]. | Acta crystallographica. Section E, Structure reports online 20100101 |
| (1S,3R)-3-Ammonio-cyclo-hexa-necarboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20081001 |
| Stereoselective synthesis and biological evaluation of 3,4-diaminocyclohexanecarboxylic acid derivatives as factor Xa inhibitors. | Bioorganic & medicinal chemistry letters 20080815 |
| Experimental elicitation with hydroxyisohexyl-3-cyclohexene carboxaldehyde-containing deodorants. | Contact dermatitis 20070301 |
| Synthesis and antiviral evaluation of cis-substituted cyclohexenyl and cyclohexanyl nucleosides. | Journal of medicinal chemistry 20050127 |
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