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70067-75-3 | Methyl 2-(4-hydroxyphenoxy);acetate
CAS No: 70067-75-3 Catalog No: AG005G9J MDL No:MFCD11046458
Product Description
Catalog Number:
AG005G9J
Chemical Name:
Methyl 2-(4-hydroxyphenoxy);acetate
CAS Number:
70067-75-3
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD11046458
IUPAC Name:
methyl 2-(4-hydroxyphenoxy)acetate
InChI:
InChI=1S/C9H10O4/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5,10H,6H2,1H3
InChI Key:
OITXOTZGDJLEBU-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccc(cc1)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and evaluation of postulated transient intermediate and substrate analogues as inhibitors of 4-hydroxyphenylpyruvate dioxygenase. | Bioorganic & medicinal chemistry letters 20020708 |
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