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163165-92-2 | Phenol, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-
CAS No: 163165-92-2 Catalog No: AG001TU7 MDL No:
Product Description
Catalog Number:
AG001TU7
Chemical Name:
Phenol, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-
CAS Number:
163165-92-2
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenol
InChI:
InChI=1S/C16H15NO2/c18-15-9-5-4-8-14(15)16-17-13(11-19-16)10-12-6-2-1-3-7-12/h1-9,13,18H,10-11H2/t13-/m0/s1
InChI Key:
UFNZMLDIAQROIH-ZDUSSCGKSA-N
SMILES:
Oc1ccccc1C1=N[C@H](CO1)Cc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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