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114943-74-7 | 2-Propynoic acid, 3-[4-(phenylmethoxy)phenyl]-, methyl ester
CAS No: 114943-74-7 Catalog No: AG000FHG MDL No:
Product Description
Catalog Number:
AG000FHG
Chemical Name:
2-Propynoic acid, 3-[4-(phenylmethoxy)phenyl]-, methyl ester
CAS Number:
114943-74-7
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
methyl 3-(4-phenylmethoxyphenyl)prop-2-ynoate
InChI:
InChI=1S/C17H14O3/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15/h2-8,10-11H,13H2,1H3
InChI Key:
DRDRFHZRVSNIQC-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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