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100954-03-8 | 2-Propynoic acid, 3-phenyl-, phenyl ester
CAS No: 100954-03-8 Catalog No: AG0003AZ MDL No:
Product Description
Catalog Number:
AG0003AZ
Chemical Name:
2-Propynoic acid, 3-phenyl-, phenyl ester
CAS Number:
100954-03-8
Molecular Formula:
C15H10O2
Molecular Weight:
222.2387
IUPAC Name:
phenyl 3-phenylprop-2-ynoate
InChI:
InChI=1S/C15H10O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H
InChI Key:
OZHURMZGJMUOGP-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)C#Cc1ccccc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.243g/mol
Monoisotopic Mass:
222.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Selective synthesis of spiro[4,5]trienyl acetates via an intramolecular electrophilic ipso-iodocyclization process. | Organic letters 20080320 |
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