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1878-81-5 | Acetic acid, 2-(4-acetylphenoxy)-
CAS No: 1878-81-5 Catalog No: AG002GHT MDL No:MFCD00014363
Product Description
Catalog Number:
AG002GHT
Chemical Name:
Acetic acid, 2-(4-acetylphenoxy)-
CAS Number:
1878-81-5
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00014363
IUPAC Name:
2-(4-acetylphenoxy)acetic acid
InChI:
InChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
KMXZEXUYXUMHEQ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)C(=O)C
EC Number:
217-524-2
NSC Number:
9356
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. | Journal of medicinal chemistry 20040506 |
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