Home Carboxys rac-(1R,3S,5s)-5-hydroxycyclohexane-1,3-dicarboxylic acid, cis

rac-(1R,3S,5s)-5-hydroxycyclohexane-1,3-dicarboxylic acid, cis

CAS No.:
38859-10-8
Catalog Number:
AG01EIQ5
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
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Product Description
Catalog Number:
AG01EIQ5
Chemical Name:
rac-(1R,3S,5s)-5-hydroxycyclohexane-1,3-dicarboxylic acid, cis
CAS Number:
38859-10-8
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
MDL Number:
MFCD31665206
IUPAC Name:
(1R,3S)-5-hydroxycyclohexane-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H12O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h4-6,9H,1-3H2,(H,10,11)(H,12,13)/t4-,5+,6?
InChI Key:
FAXWWNPNOMJCBJ-XEAPYIEGSA-N
SMILES:
O[C@@H]1C[C@@H](C[C@@H](C1)C(=O)O)C(=O)O
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
188.068g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
188.179g/mol
Monoisotopic Mass:
188.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties