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121507-50-4 | Benzene, (1-phenoxy-2-propyn-1-yl)-
CAS No: 121507-50-4 Catalog No: AG00153E MDL No:
Product Description
Catalog Number:
AG00153E
Chemical Name:
Benzene, (1-phenoxy-2-propyn-1-yl)-
CAS Number:
121507-50-4
Molecular Formula:
C15H12O
Molecular Weight:
208.2552
IUPAC Name:
1-phenoxyprop-2-ynylbenzene
InChI:
InChI=1S/C15H12O/c1-2-15(13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h1,3-12,15H
InChI Key:
NBQPJQCGYJTNAH-UHFFFAOYSA-N
SMILES:
C#CC(c1ccccc1)Oc1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.26g/mol
Monoisotopic Mass:
208.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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