Home Carboxys 4-methylcyclohex-1-ene-1-carboxylic acid

4-methylcyclohex-1-ene-1-carboxylic acid

CAS No.:
5333-31-3
Catalog Number:
AG01AEMO
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$663
- +
5g
97%
1 week
United States
$1913
- +
Product Description
Catalog Number:
AG01AEMO
Chemical Name:
4-methylcyclohex-1-ene-1-carboxylic acid
CAS Number:
5333-31-3
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD19228163
IUPAC Name:
4-methylcyclohexene-1-carboxylic acid
InChI:
InChI=1S/C8H12O2/c1-6-2-4-7(5-3-6)8(9)10/h4,6H,2-3,5H2,1H3,(H,9,10)
InChI Key:
GEFNPBHICGXNLA-UHFFFAOYSA-N
SMILES:
CC1CCC(=CC1)C(=O)O
NSC Number:
622
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties