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37104-08-8 | 5-(1,3-dioxolan-2-yl)-3-phenyl-2,1-benzoxazole
CAS No: 37104-08-8 Catalog No: AG003ATT MDL No:
Product Description
Catalog Number:
AG003ATT
Chemical Name:
5-(1,3-dioxolan-2-yl)-3-phenyl-2,1-benzoxazole
CAS Number:
37104-08-8
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
5-(1,3-dioxolan-2-yl)-3-phenyl-2,1-benzoxazole
InChI:
InChI=1S/C16H13NO3/c1-2-4-11(5-3-1)15-13-10-12(16-18-8-9-19-16)6-7-14(13)17-20-15/h1-7,10,16H,8-9H2
InChI Key:
FJLFPNLOFYIETF-UHFFFAOYSA-N
SMILES:
C1COC(O1)c1ccc2c(c1)c(on2)c1ccccc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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