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125151-59-9 | 3-Butyn-2-ol, 4-[4-(decyloxy)phenyl]-2-methyl-
CAS No: 125151-59-9 Catalog No: AG000N9E MDL No:
Product Description
Catalog Number:
AG000N9E
Chemical Name:
3-Butyn-2-ol, 4-[4-(decyloxy)phenyl]-2-methyl-
CAS Number:
125151-59-9
Molecular Formula:
C21H32O2
Molecular Weight:
316.4776
IUPAC Name:
4-(4-decoxyphenyl)-2-methylbut-3-yn-2-ol
InChI:
InChI=1S/C21H32O2/c1-4-5-6-7-8-9-10-11-18-23-20-14-12-19(13-15-20)16-17-21(2,3)22/h12-15,22H,4-11,18H2,1-3H3
InChI Key:
KIESCJVXKMLKTL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)C#CC(O)(C)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.24g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.485g/mol
Monoisotopic Mass:
316.24g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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