Home Carboxys 3-(Methoxycarbonyl)cyclohexane-1-carboxylic acid

3-(Methoxycarbonyl)cyclohexane-1-carboxylic acid

CAS No.:
25090-39-5
Catalog Number:
AG002QFS
Molecular Formula:
C9H13O4-
Molecular Weight:
185.1971
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$152
- +
Product Description
Catalog Number:
AG002QFS
Chemical Name:
3-(Methoxycarbonyl)cyclohexane-1-carboxylic acid
CAS Number:
25090-39-5
Molecular Formula:
C9H13O4-
Molecular Weight:
185.1971
MDL Number:
MFCD17170191
IUPAC Name:
3-methoxycarbonylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H14O4/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChI Key:
PODOUIALODEQFA-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCC(C1)C(=O)[O-]
NSC Number:
249821
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties