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88462-68-4 | 2H-Pyran, tetrahydro-2-[[1-methyl-1-(phenoxymethyl)-2-propynyl]oxy]-
CAS No: 88462-68-4 Catalog No: AG004CNA MDL No:
Product Description
Catalog Number:
AG004CNA
Chemical Name:
2H-Pyran, tetrahydro-2-[[1-methyl-1-(phenoxymethyl)-2-propynyl]oxy]-
CAS Number:
88462-68-4
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
IUPAC Name:
2-(2-methyl-1-phenoxybut-3-yn-2-yl)oxyoxane
InChI:
InChI=1S/C16H20O3/c1-3-16(2,19-15-11-7-8-12-17-15)13-18-14-9-5-4-6-10-14/h1,4-6,9-10,15H,7-8,11-13H2,2H3
InChI Key:
YVSAXKQKQVSZCC-UHFFFAOYSA-N
SMILES:
C#CC(OC1CCCCO1)(COc1ccccc1)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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