4771-80-6,MFCD00013781
Catalog No.:AA0033M1

4771-80-6 | 3-Cyclohexene-1-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10g
98%
in stock  
$6.00   $4.00
- +
25g
98%
in stock  
$13.00   $9.00
- +
100g
98%
in stock  
$42.00   $30.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0033M1
Chemical Name:
3-Cyclohexene-1-carboxylic acid
CAS Number:
4771-80-6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00013781
SMILES:
OC(=O)C1CCC=CC1
Properties
Properties
 
BP:
241.7°C at 760 mmHg  
Form:
Liquid  
MP:
17 °C(lit.)  
Refractive Index:
n20/D 1.48(lit.)  
Solubility:
V sol  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
138  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Literature

Title: catena-Poly[[trimethyl-tin(IV)]-μ-cyclo-hex-3-ene-1-carboxyl-ato].

Journal: Acta crystallographica. Section E, Structure reports online 20100101

Title: (1S,3R)-3-Ammonio-cyclo-hexa-necarboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20081001

Title: Stereoselective synthesis and biological evaluation of 3,4-diaminocyclohexanecarboxylic acid derivatives as factor Xa inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20080815

Title: Experimental elicitation with hydroxyisohexyl-3-cyclohexene carboxaldehyde-containing deodorants.

Journal: Contact dermatitis 20070301

Title: Synthesis and antiviral evaluation of cis-substituted cyclohexenyl and cyclohexanyl nucleosides.

Journal: Journal of medicinal chemistry 20050127

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SDS
Tags:4771-80-6 Molecular Formula|4771-80-6 MDL|4771-80-6 SMILES|4771-80-6 3-Cyclohexene-1-carboxylic acid
Catalog No.: AA0033M1
4771-80-6,MFCD00013781
4771-80-6 | 3-Cyclohexene-1-carboxylic acid
Pack Size: 10g
Purity: 98%
in stock
$6.00 $4.00
Pack Size: 25g
Purity: 98%
in stock
$13.00 $9.00
Pack Size: 100g
Purity: 98%
in stock
$42.00 $30.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA0033M1
Chemical Name: 3-Cyclohexene-1-carboxylic acid
CAS Number: 4771-80-6
Molecular Formula: C7H10O2
Molecular Weight: 126.1531
MDL Number: MFCD00013781
SMILES: OC(=O)C1CCC=CC1
Properties
BP: 241.7°C at 760 mmHg  
Form: Liquid  
MP: 17 °C(lit.)  
Refractive Index: n20/D 1.48(lit.)  
Solubility: V sol  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 138  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Literature fold

Title: catena-Poly[[trimethyl-tin(IV)]-μ-cyclo-hex-3-ene-1-carboxyl-ato].

Journal: Acta crystallographica. Section E, Structure reports online20100101

Title: (1S,3R)-3-Ammonio-cyclo-hexa-necarboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online20081001

Title: Stereoselective synthesis and biological evaluation of 3,4-diaminocyclohexanecarboxylic acid derivatives as factor Xa inhibitors.

Journal: Bioorganic & medicinal chemistry letters20080815

Title: Experimental elicitation with hydroxyisohexyl-3-cyclohexene carboxaldehyde-containing deodorants.

Journal: Contact dermatitis20070301

Title: Synthesis and antiviral evaluation of cis-substituted cyclohexenyl and cyclohexanyl nucleosides.

Journal: Journal of medicinal chemistry20050127

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