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10225-74-8 | 2H-Pyran-3-ol, tetrahydro-2-methoxy-, 3-benzoate, (2S,3R)-
CAS No: 10225-74-8 Catalog No: AG000711 MDL No:
Product Description
Catalog Number:
AG000711
Chemical Name:
2H-Pyran-3-ol, tetrahydro-2-methoxy-, 3-benzoate, (2S,3R)-
CAS Number:
10225-74-8
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
(2-methoxyoxan-3-yl) benzoate
InChI:
InChI=1S/C13H16O4/c1-15-13-11(8-5-9-16-13)17-12(14)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3
InChI Key:
YQWQUEYXARVSQW-UHFFFAOYSA-N
SMILES:
CO[C@H]1OCCC[C@H]1OC(=O)c1ccccc1
NSC Number:
101760
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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