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25141-00-8 | Propanoic acid, 2-(3,4-dimethylphenoxy)-
CAS No: 25141-00-8 Catalog No: AG002QLX MDL No:MFCD02609608
Product Description
Catalog Number:
AG002QLX
Chemical Name:
Propanoic acid, 2-(3,4-dimethylphenoxy)-
CAS Number:
25141-00-8
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD02609608
IUPAC Name:
2-(3,4-dimethylphenoxy)propanoic acid
InChI:
InChI=1S/C11H14O3/c1-7-4-5-10(6-8(7)2)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)
InChI Key:
UIOGKMYERRPYJZ-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1ccc(c(c1)C)C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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