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183589-09-5 | Phenol, 2-(2-phenylethynyl)-, 1-acetate
CAS No: 183589-09-5 Catalog No: AG0027PG MDL No:
Product Description
Catalog Number:
AG0027PG
Chemical Name:
Phenol, 2-(2-phenylethynyl)-, 1-acetate
CAS Number:
183589-09-5
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
acetic acid;2-(2-phenylethynyl)phenol
InChI:
InChI=1S/C14H10O.C2H4O2/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12;1-2(3)4/h1-9,15H;1H3,(H,3,4)
InChI Key:
USEGLIDSVXLYSP-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccccc1C#Cc1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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