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113841-30-8 | 4-Isoxazolemethanol, 5-[1,1'-biphenyl]-4-yl-3-methyl-
CAS No: 113841-30-8 Catalog No: AG0009U3 MDL No:
Product Description
Catalog Number:
AG0009U3
Chemical Name:
4-Isoxazolemethanol, 5-[1,1'-biphenyl]-4-yl-3-methyl-
CAS Number:
113841-30-8
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methanol
InChI:
InChI=1S/C17H15NO2/c1-12-16(11-19)17(20-18-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,19H,11H2,1H3
InChI Key:
PCZYZQABIHURFJ-UHFFFAOYSA-N
SMILES:
OCc1c(C)noc1c1ccc(cc1)c1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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