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1612884-82-8 | 2h-pyran-3-methanol, tetrahydro-, 3-benzoate, (3r)-
CAS No: 1612884-82-8 Catalog No: AG001SAQ MDL No:
Product Description
Catalog Number:
AG001SAQ
Chemical Name:
2h-pyran-3-methanol, tetrahydro-, 3-benzoate, (3r)-
CAS Number:
1612884-82-8
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
[(3R)-oxan-3-yl]methyl benzoate
InChI:
InChI=1S/C13H16O3/c14-13(12-6-2-1-3-7-12)16-10-11-5-4-8-15-9-11/h1-3,6-7,11H,4-5,8-10H2/t11-/m1/s1
InChI Key:
WENZOXDGFQZGOW-LLVKDONJSA-N
SMILES:
O=C(c1ccccc1)OC[C@@H]1CCCOC1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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