Home Carboxys rac-(2R,3R)-2-phenyloxane-3-carboxylic acid, trans

rac-(2R,3R)-2-phenyloxane-3-carboxylic acid, trans

CAS No.:
1969287-70-4
Catalog Number:
AG01B2IZ
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
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Product Description
Catalog Number:
AG01B2IZ
Chemical Name:
rac-(2R,3R)-2-phenyloxane-3-carboxylic acid, trans
CAS Number:
1969287-70-4
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD30011387
IUPAC Name:
(2S,3R)-2-phenyloxane-3-carboxylic acid
InChI:
InChI=1S/C12H14O3/c13-12(14)10-7-4-8-15-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,13,14)/t10-,11-/m1/s1
InChI Key:
PLTXACXZZGZCLU-GHMZBOCLSA-N
SMILES:
OC(=O)[C@@H]1CCCO[C@H]1c1ccccc1
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties