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119754-13-1 | 3-Butyn-2-ol, 2-methyl-4-[4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-
CAS No: 119754-13-1 Catalog No: AG000PLN MDL No:
Product Description
Catalog Number:
AG000PLN
Chemical Name:
3-Butyn-2-ol, 2-methyl-4-[4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]-
CAS Number:
119754-13-1
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
IUPAC Name:
2-methyl-4-[4-(oxan-2-yloxy)phenyl]but-3-yn-2-ol
InChI:
InChI=1S/C16H20O3/c1-16(2,17)11-10-13-6-8-14(9-7-13)19-15-5-3-4-12-18-15/h6-9,15,17H,3-5,12H2,1-2H3
InChI Key:
SCUMQDKIDJUUNJ-UHFFFAOYSA-N
SMILES:
CC(C#Cc1ccc(cc1)OC1CCCCO1)(O)C
Properties
Complexity:
342
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:
1
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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