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1198-84-1 | Benzeneacetic acid, α,4-dihydroxy-
CAS No: 1198-84-1 Catalog No: AG000POM MDL No:MFCD00004234
Product Description
Catalog Number:
AG000POM
Chemical Name:
Benzeneacetic acid, α,4-dihydroxy-
CAS Number:
1198-84-1
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
MDL Number:
MFCD00004234
IUPAC Name:
2-hydroxy-2-(4-hydroxyphenyl)acetic acid
InChI:
InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
InChI Key:
YHXHKYRQLYQUIH-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Halicloic acids A and B isolated from the marine sponge Haliclona sp. collected in the Philippines inhibit indoleamine 2,3-dioxygenase. | Journal of natural products 20120824 |
| A public resource for metabolic pathway mapping of Aspergillus fumigatus Af293. | Medical mycology 20110401 |
| Metabolic engineering of the L-phenylalanine pathway in Escherichia coli for the production of S- or R-mandelic acid. | Microbial cell factories 20110101 |
| The metabolic fate of red wine and grape juice polyphenols in humans assessed by metabolomics. | Molecular nutrition & food research 20100701 |
| The rate-limiting catalytic steps of hydroxymandelate synthase from Amycolatopsis orientalis. | Biochemistry 20100309 |
| Investigation into the mechanism of phenolic couplings during the biosynthesis of glycopeptide antibiotics. | Chembiochem : a European journal of chemical biology 20080922 |
| Two roads diverged: the structure of hydroxymandelate synthase from Amycolatopsis orientalis in complex with 4-hydroxymandelate. | Biochemistry 20080219 |
| The genome of the versatile nitrogen fixer Azorhizobium caulinodans ORS571. | BMC genomics 20080101 |
| Adaptogenic and nootropic activities of aqueous extract of Vitis vinifera (grape seed): an experimental study in rat model. | BMC complementary and alternative medicine 20050101 |
| Engineering p-hydroxyphenylpyruvate dioxygenase to a p-hydroxymandelate synthase and evidence for the proposed benzene oxide intermediate in homogentisate formation. | Biochemistry 20040127 |
| Improved chemical strategies for the targeted therapy of cancer. | Angewandte Chemie (International ed. in English) 20031013 |
| Structure, biosynthetic origin, and engineered biosynthesis of calcium-dependent antibiotics from Streptomyces coelicolor. | Chemistry & biology 20021101 |
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