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161790-37-0 | Propanoic acid, 2-[2-(1-methylethyl)phenoxy]-
CAS No: 161790-37-0 Catalog No: AG001VWB MDL No:MFCD03422229
Product Description
Catalog Number:
AG001VWB
Chemical Name:
Propanoic acid, 2-[2-(1-methylethyl)phenoxy]-
CAS Number:
161790-37-0
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD03422229
IUPAC Name:
2-(2-propan-2-ylphenoxy)propanoic acid
InChI:
InChI=1S/C12H16O3/c1-8(2)10-6-4-5-7-11(10)15-9(3)12(13)14/h4-9H,1-3H3,(H,13,14)
InChI Key:
KJOWLMCSCDFVCH-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1ccccc1C(C)C)C
Properties
Complexity:
213
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
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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