Home Carboxys Cis-2-carbomethoxycyclohexane-1-carboxylic acid

Cis-2-carbomethoxycyclohexane-1-carboxylic acid

CAS No.:
111955-05-6
Catalog Number:
AG002UQF
Molecular Formula:
C9H13O4-
Molecular Weight:
185.1971
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$238
- +
10g
97%
In Stock USA
United States
$425
- +
25g
97%
In Stock USA
United States
$788
- +
Product Description
Catalog Number:
AG002UQF
Chemical Name:
Cis-2-carbomethoxycyclohexane-1-carboxylic acid
CAS Number:
111955-05-6
Molecular Formula:
C9H13O4-
Molecular Weight:
185.1971
MDL Number:
MFCD01311242
IUPAC Name:
(1R,2S)-2-methoxycarbonylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H14O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
InChI Key:
BOVPVRGRPPYECC-RQJHMYQMSA-N
SMILES:
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties