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919513-11-4 | 5-Isoxazolemethanol, 3-[1,1'-biphenyl]-4-yl-4,5-dihydro-
CAS No: 919513-11-4 Catalog No: AG006IGS MDL No:
Product Description
Catalog Number:
AG006IGS
Chemical Name:
5-Isoxazolemethanol, 3-[1,1'-biphenyl]-4-yl-4,5-dihydro-
CAS Number:
919513-11-4
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
[3-(4-phenylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C16H15NO2/c18-11-15-10-16(17-19-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2
InChI Key:
AOPAYLLGHFUAGT-UHFFFAOYSA-N
SMILES:
OCC1ON=C(C1)c1ccc(cc1)c1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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