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88194-15-4 | 1,3-Benzenedicarboxylic acid, 5-(2-propenyloxy)-
CAS No: 88194-15-4 Catalog No: AG004C9G MDL No:
Product Description
Catalog Number:
AG004C9G
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-(2-propenyloxy)-
CAS Number:
88194-15-4
Molecular Formula:
C11H10O5
Molecular Weight:
222.1941
IUPAC Name:
5-prop-2-enoxybenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C11H10O5/c1-2-3-16-9-5-7(10(12)13)4-8(6-9)11(14)15/h2,4-6H,1,3H2,(H,12,13)(H,14,15)
InChI Key:
OZMHCDOSPHJOKL-UHFFFAOYSA-N
SMILES:
C=CCOc1cc(cc(c1)C(=O)O)C(=O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.196g/mol
Monoisotopic Mass:
222.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| A chiral A2 B2 macrocyclic minireceptor with extreme enantioselectivity. | Organic letters 20021114 |
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