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84119-04-0 | 1,4-Benzenedicarboxylic acid, 2,5-bis(2-propynyloxy)-
CAS No: 84119-04-0 Catalog No: AG004SSM MDL No:
Product Description
Catalog Number:
AG004SSM
Chemical Name:
1,4-Benzenedicarboxylic acid, 2,5-bis(2-propynyloxy)-
CAS Number:
84119-04-0
Molecular Formula:
C14H10O6
Molecular Weight:
274.2256
IUPAC Name:
2,5-bis(prop-2-ynoxy)terephthalic acid
InChI:
InChI=1S/C14H10O6/c1-3-5-19-11-7-10(14(17)18)12(20-6-4-2)8-9(11)13(15)16/h1-2,7-8H,5-6H2,(H,15,16)(H,17,18)
InChI Key:
NHXPMULWXRURKS-UHFFFAOYSA-N
SMILES:
C#CCOc1cc(C(=O)O)c(cc1C(=O)O)OCC#C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.228g/mol
Monoisotopic Mass:
274.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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