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Home Other Building Blocks 4,4'-(Ethyne-1,2-diyl)dibenzoic acid

4,4'-(Ethyne-1,2-diyl)dibenzoic acid

CAS No.:
16819-43-5
Catalog Number:
AG001XWI
Molecular Formula:
C16H10O4
Molecular Weight:
266.2482
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$166
- +
1g
97%
1 week
United States
$357
- +
Product Description
Catalog Number:
AG001XWI
Chemical Name:
4,4'-(Ethyne-1,2-diyl)dibenzoic acid
CAS Number:
16819-43-5
Molecular Formula:
C16H10O4
Molecular Weight:
266.2482
MDL Number:
MFCD18711382
IUPAC Name:
4-[2-(4-carboxyphenyl)ethynyl]benzoic acid
InChI:
InChI=1S/C16H10O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,(H,17,18)(H,19,20)
InChI Key:
ARBAMECCCQZCSR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C#Cc1ccc(cc1)C(=O)O
Properties
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.058g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
266.252g/mol
Monoisotopic Mass:
266.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Novel luminescent metal-organic frameworks [Eu2L3(DMSO)2(MeOH)2] x 2 DMSO x 3 H2O and [Zn2L2(DMSO)2] x 1.6 H2O (L = 4,4'-ethyne-1,2-diyldibenzoate). Inorganic chemistry 20080721
Properties