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Home Carboxys Cis-1,3-cyclohexanedicarboxylic acid

Cis-1,3-cyclohexanedicarboxylic acid

CAS No.:
2305-31-9
Catalog Number:
AG002M0L
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$119
- +
10g
98%
In Stock USA
United States
$188
- +
25g
98%
In Stock USA
United States
$363
- +
Product Description
Catalog Number:
AG002M0L
Chemical Name:
Cis-1,3-cyclohexanedicarboxylic acid
CAS Number:
2305-31-9
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD01311240
IUPAC Name:
(1S,3R)-cyclohexane-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+
InChI Key:
XBZSBBLNHFMTEB-OLQVQODUSA-N
SMILES:
OC(=O)[C@@H]1CCC[C@@H](C1)C(=O)O
UNII:
8QXE081K9B
Properties
Complexity:
179  
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:
0.7  
Literature
Title Journal
New, efficient synthesis of oseltamivir phosphate (Tamiflu) via enzymatic desymmetrization of a meso-1,3-cyclohexanedicarboxylic acid diester. The Journal of organic chemistry 20080704
Properties