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1220328-97-1 | 7H-Pyrano[3,4-c]isoxazole, 3,3a,4,5-tetrahydro-5-[(phenylmethoxy)methyl]-, (3aR,5R)-
CAS No: 1220328-97-1 Catalog No: AG0016NN MDL No:
Product Description
Catalog Number:
AG0016NN
Chemical Name:
7H-Pyrano[3,4-c]isoxazole, 3,3a,4,5-tetrahydro-5-[(phenylmethoxy)methyl]-, (3aR,5R)-
CAS Number:
1220328-97-1
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
(3aR,5R)-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
InChI:
InChI=1S/C14H17NO3/c1-2-4-11(5-3-1)7-16-9-13-6-12-8-18-15-14(12)10-17-13/h1-5,12-13H,6-10H2/t12-,13+/m0/s1
InChI Key:
LXYBKZVFHKHLSR-QWHCGFSZSA-N
SMILES:
O(Cc1ccccc1)C[C@@H]1OCC2=NOC[C@@H]2C1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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