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Home Other Building Blocks Methanone, (4-hydroxyphenyl)[4-(2-propyn-1-yloxy)phenyl]-

Methanone, (4-hydroxyphenyl)[4-(2-propyn-1-yloxy)phenyl]-

CAS No.:
1208395-99-6
Catalog Number:
AG01F778
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
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Product Description
Catalog Number:
AG01F778
Chemical Name:
Methanone, (4-hydroxyphenyl)[4-(2-propyn-1-yloxy)phenyl]-
CAS Number:
1208395-99-6
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
MDL Number:
MFCD28124082
IUPAC Name:
(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone
InChI:
InChI=1S/C16H12O3/c1-2-11-19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h1,3-10,17H,11H2
InChI Key:
TZKIHDJSIXVMIQ-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1)C(=O)c1ccc(cc1)O
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.079g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.269g/mol
Monoisotopic Mass:
252.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Nanomolar affinity, iminosugar-based chemical probes for specific labeling of lysosomal glucocerebrosidase. Bioorganic & medicinal chemistry 20100101
Properties