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16819-43-5 | Benzoic acid, 4,4'-(1,2-ethynediyl)bis-
CAS No: 16819-43-5 Catalog No: AG001XWI MDL No:MFCD18711382
Product Description
Catalog Number:
AG001XWI
Chemical Name:
Benzoic acid, 4,4'-(1,2-ethynediyl)bis-
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 |
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