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20628-06-2 | Ethanone, 1-(2-hydroxy-4,5-dimethoxyphenyl)-
CAS No: 20628-06-2 Catalog No: AG002IEW MDL No:MFCD00017241
Product Description
Catalog Number:
AG002IEW
Chemical Name:
Ethanone, 1-(2-hydroxy-4,5-dimethoxyphenyl)-
CAS Number:
20628-06-2
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00017241
IUPAC Name:
1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3
InChI Key:
KEQHBVWVKYHDCS-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)C)c(cc1OC)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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