Home Other Building Blocks 4-(but-3-yn-1-yloxy)benzoic acid

4-(but-3-yn-1-yloxy)benzoic acid

CAS No.:
1017024-01-9
Catalog Number:
AG01A65W
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
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Product Description
Catalog Number:
AG01A65W
Chemical Name:
4-(but-3-yn-1-yloxy)benzoic acid
CAS Number:
1017024-01-9
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD09939454
IUPAC Name:
4-but-3-ynoxybenzoic acid
InChI:
InChI=1S/C11H10O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h1,4-7H,3,8H2,(H,12,13)
InChI Key:
BBXYIDRHSXLQFO-UHFFFAOYSA-N
SMILES:
C#CCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties