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304902-63-4 | Benzoxazole, 2-[(1E)-2-(4-methoxyphenyl)ethenyl]-5-methyl-
CAS No: 304902-63-4 Catalog No: AG0030C2 MDL No:
Product Description
Catalog Number:
AG0030C2
Chemical Name:
Benzoxazole, 2-[(1E)-2-(4-methoxyphenyl)ethenyl]-5-methyl-
CAS Number:
304902-63-4
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
2-[2-(4-methoxyphenyl)ethenyl]-5-methyl-1,3-benzoxazole
InChI:
InChI=1S/C17H15NO2/c1-12-3-9-16-15(11-12)18-17(20-16)10-6-13-4-7-14(19-2)8-5-13/h3-11H,1-2H3
InChI Key:
SIUNNQPGKNGTCU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/c1oc2c(n1)cc(cc2)C
Properties
Complexity:
336
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:
0
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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