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207297-09-4 | Phenol, 4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-
CAS No: 207297-09-4 Catalog No: AG002IYH MDL No:
Product Description
Catalog Number:
AG002IYH
Chemical Name:
Phenol, 4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-
CAS Number:
207297-09-4
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenol
InChI:
InChI=1S/C15H13NO2/c17-13-8-6-11(7-9-13)14-10-15(18-16-14)12-4-2-1-3-5-12/h1-9,15,17H,10H2
InChI Key:
YWIJFRFGHPJMIW-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1=NOC(C1)c1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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