Home Carboxys (1S,2S)-1,2-Cyclohexanedicarboxylic acid

(1S,2S)-1,2-Cyclohexanedicarboxylic acid

CAS No.:
21963-41-7
Catalog Number:
AG003BIW
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$33
- +
25g
95%
In Stock USA
United States
$54
- +
100g
95%
In Stock USA
United States
$143
- +
Product Description
Catalog Number:
AG003BIW
Chemical Name:
(1S,2S)-1,2-Cyclohexanedicarboxylic acid
CAS Number:
21963-41-7
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD00151258
IUPAC Name:
(1S,2S)-cyclohexane-1,2-dicarboxylic acid
InChI:
InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m0/s1
InChI Key:
QSAWQNUELGIYBC-WDSKDSINSA-N
SMILES:
OC(=O)[C@H]1CCCC[C@@H]1C(=O)O
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties