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141207-04-7 | Isoxazole, 5-[2-[4-methoxy-3-(phenylmethoxy)phenyl]ethenyl]-
CAS No: 141207-04-7 Catalog No: AG001G21 MDL No:
Product Description
Catalog Number:
AG001G21
Chemical Name:
Isoxazole, 5-[2-[4-methoxy-3-(phenylmethoxy)phenyl]ethenyl]-
CAS Number:
141207-04-7
Molecular Formula:
C19H17NO3
Molecular Weight:
307.3432
IUPAC Name:
5-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-1,2-oxazole
InChI:
InChI=1S/C19H17NO3/c1-21-18-10-8-15(7-9-17-11-12-20-23-17)13-19(18)22-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChI Key:
JTSNVTAHWFJHPN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCc1ccccc1)C=Cc1ccno1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.349g/mol
Monoisotopic Mass:
307.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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