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199923-60-9 | Benzene, [(1-ethenyl-1-propen-1-yl)oxy]-
CAS No: 199923-60-9 Catalog No: AG002CGM MDL No:
Product Description
Catalog Number:
AG002CGM
Chemical Name:
Benzene, [(1-ethenyl-1-propen-1-yl)oxy]-
CAS Number:
199923-60-9
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
2-(4-phenoxybut-3-enyl)thiophene
InChI:
InChI=1S/C14H14OS/c1-2-7-13(8-3-1)15-11-5-4-9-14-10-6-12-16-14/h1-3,5-8,10-12H,4,9H2
InChI Key:
IRBGGFPYSGNTTI-UHFFFAOYSA-N
SMILES:
CC=C(Oc1ccccc1)C=C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.325g/mol
Monoisotopic Mass:
230.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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