Home Carboxys rac-(2R,4r,6S)-2,6-dimethyloxane-4-carboxylic acid

rac-(2R,4r,6S)-2,6-dimethyloxane-4-carboxylic acid

CAS No.:
942144-48-1
Catalog Number:
AG01FHH3
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG01FHH3
Chemical Name:
rac-(2R,4r,6S)-2,6-dimethyloxane-4-carboxylic acid
CAS Number:
942144-48-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD31567058
IUPAC Name:
(2R,6S)-2,6-dimethyloxane-4-carboxylic acid
InChI:
InChI=1S/C8H14O3/c1-5-3-7(8(9)10)4-6(2)11-5/h5-7H,3-4H2,1-2H3,(H,9,10)/t5-,6+,7?
InChI Key:
PMKAHDGEZAFUAW-MEKDEQNOSA-N
SMILES:
C[C@@H]1C[C@@H](C[C@@H](O1)C)C(=O)O
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties