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139225-58-4 | Benzene, [2-(4-ethoxy-2-methyl-1-cyclobuten-1-yl)ethynyl]-
CAS No: 139225-58-4 Catalog No: AG001AIQ MDL No:
Product Description
Catalog Number:
AG001AIQ
Chemical Name:
Benzene, [2-(4-ethoxy-2-methyl-1-cyclobuten-1-yl)ethynyl]-
CAS Number:
139225-58-4
Molecular Formula:
C15H16O
Molecular Weight:
212.2869
IUPAC Name:
2-(4-ethoxy-2-methylcyclobuten-1-yl)ethynylbenzene
InChI:
InChI=1S/C15H16O/c1-3-16-15-11-12(2)14(15)10-9-13-7-5-4-6-8-13/h4-8,15H,3,11H2,1-2H3
InChI Key:
IYGBYPRYLVLYLP-UHFFFAOYSA-N
SMILES:
CCOC1CC(=C1C#Cc1ccccc1)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.12g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.292g/mol
Monoisotopic Mass:
212.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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