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92176-81-3

92176-81-3 | 1,3-Benzenedicarboxylic acid, 5-(4-ethynylphenoxy)-

CAS No: 92176-81-3 Catalog No: AG006GKO MDL No:

Product Description

Catalog Number:
AG006GKO
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-(4-ethynylphenoxy)-
CAS Number:
92176-81-3
Molecular Formula:
C16H10O5
Molecular Weight:
282.2476
IUPAC Name:
5-(4-ethynylphenoxy)benzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C16H10O5/c1-2-10-3-5-13(6-4-10)21-14-8-11(15(17)18)7-12(9-14)16(19)20/h1,3-9H,(H,17,18)(H,19,20)
InChI Key:
BCKVZZISSIHXFT-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)Oc1cc(cc(c1)C(=O)O)C(=O)O

Properties

Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.053g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.251g/mol
Monoisotopic Mass:
282.053g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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