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2344-53-8 | 3-Butyn-2-ol, 4,4'-(1,4-phenylene)bis[2-methyl-
CAS No: 2344-53-8 Catalog No: AG002N8V MDL No:
Product Description
Catalog Number:
AG002N8V
Chemical Name:
3-Butyn-2-ol, 4,4'-(1,4-phenylene)bis[2-methyl-
CAS Number:
2344-53-8
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
4-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-methylbut-3-yn-2-ol
InChI:
InChI=1S/C16H18O2/c1-15(2,17)11-9-13-5-7-14(8-6-13)10-12-16(3,4)18/h5-8,17-18H,1-4H3
InChI Key:
FBRHVRDBMZNCTN-UHFFFAOYSA-N
SMILES:
CC(C#Cc1ccc(cc1)C#CC(O)(C)C)(O)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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