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63123-19-3 | 2-(2-Ethoxy-1-butenyl)-3-methyl-5-phenylbenzoxazolium
CAS No: 63123-19-3 Catalog No: AG00ETD5 MDL No:
Product Description
Catalog Number:
AG00ETD5
Chemical Name:
2-(2-Ethoxy-1-butenyl)-3-methyl-5-phenylbenzoxazolium
CAS Number:
63123-19-3
IUPAC Name:
2-[(Z)-2-ethoxybut-1-enyl]-3-methyl-5-phenyl-1,3-benzoxazol-3-ium
InChI:
InChI=1S/C20H22NO2/c1-4-17(22-5-2)14-20-21(3)18-13-16(11-12-19(18)23-20)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3/q+1/b17-14-
InChI Key:
IRWDXJONZAQKHI-VKAVYKQESA-N
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
308.165g/mol
Formal Charge:
1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.401g/mol
Monoisotopic Mass:
308.165g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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