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122761-99-3 | Benzene, [1-[[(2E)-3-phenyl-2-propen-1-yl]oxy]-2-propyn-1-yl]-
CAS No: 122761-99-3 Catalog No: AG000JFO MDL No:
Product Description
Catalog Number:
AG000JFO
Chemical Name:
Benzene, [1-[[(2E)-3-phenyl-2-propen-1-yl]oxy]-2-propyn-1-yl]-
CAS Number:
122761-99-3
Molecular Formula:
C18H16O
Molecular Weight:
248.3190
IUPAC Name:
1-(3-phenylprop-2-enoxy)prop-2-ynylbenzene
InChI:
InChI=1S/C18H16O/c1-2-18(17-13-7-4-8-14-17)19-15-9-12-16-10-5-3-6-11-16/h1,3-14,18H,15H2
InChI Key:
MGWBYCRPRVZDCR-UHFFFAOYSA-N
SMILES:
C#CC(c1ccccc1)OC/C=C/c1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.12g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.325g/mol
Monoisotopic Mass:
248.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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