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84290-27-7 | 4-[(2-FORMYL-3-HYDROXYPHENOXY)METHYL]-BENZOIC ACID
CAS No: 84290-27-7 Catalog No: AG00390L MDL No:
Product Description
Catalog Number:
AG00390L
Chemical Name:
4-[(2-FORMYL-3-HYDROXYPHENOXY)METHYL]-BENZOIC ACID
CAS Number:
84290-27-7
Molecular Formula:
C15H12O5
Molecular Weight:
272.2528
IUPAC Name:
4-[(2-formyl-3-hydroxyphenoxy)methyl]benzoic acid
InChI:
InChI=1S/C15H12O5/c16-8-12-13(17)2-1-3-14(12)20-9-10-4-6-11(7-5-10)15(18)19/h1-8,17H,9H2,(H,18,19)
InChI Key:
XEDONBRPTABQFB-UHFFFAOYSA-N
SMILES:
O=Cc1c(cccc1O)OCc1ccc(cc1)C(=O)O
UNII:
JH368G5B9M
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.256g/mol
Monoisotopic Mass:
272.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Discovery of immunopotentiatory drugs: current and future strategies. | Clinical and experimental immunology 20021201 |
| Schiff base-mediated co-stimulation primes the T-cell-receptor-dependent calcium signalling pathway in CD4 T cells. | Immunology 20010901 |
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