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25140-78-7 | Butanoic acid, 2-(3,4-dimethylphenoxy)-
CAS No: 25140-78-7 Catalog No: AG002QM2 MDL No:MFCD02609523
Product Description
Catalog Number:
AG002QM2
Chemical Name:
Butanoic acid, 2-(3,4-dimethylphenoxy)-
CAS Number:
25140-78-7
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD02609523
IUPAC Name:
2-(3,4-dimethylphenoxy)butanoic acid
InChI:
InChI=1S/C12H16O3/c1-4-11(12(13)14)15-10-6-5-8(2)9(3)7-10/h5-7,11H,4H2,1-3H3,(H,13,14)
InChI Key:
PNWGQBBWAMFZBY-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Oc1ccc(c(c1)C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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