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129489-47-0 | 2H-Pyran-2-carboxylic acid, tetrahydro-5-hydroxy-, trans- (9CI)
CAS No: 129489-47-0 Catalog No: AG000Z67 MDL No:
Product Description
Catalog Number:
AG000Z67
Chemical Name:
2H-Pyran-2-carboxylic acid, tetrahydro-5-hydroxy-, trans- (9CI)
CAS Number:
129489-47-0
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
IUPAC Name:
(2R,5S)-5-hydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C6H10O4/c7-4-1-2-5(6(8)9)10-3-4/h4-5,7H,1-3H2,(H,8,9)/t4-,5+/m0/s1
InChI Key:
FHKBUSTUTXQFLS-CRCLSJGQSA-N
SMILES:
O[C@H]1CC[C@@H](OC1)C(=O)O
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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