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Home Other Building Blocks Butanoic acid, 2-(2-methylphenoxy)-

Butanoic acid, 2-(2-methylphenoxy)-

CAS No.:
161790-50-7
Catalog Number:
AG001VWA
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG001VWA
Chemical Name:
Butanoic acid, 2-(2-methylphenoxy)-
CAS Number:
161790-50-7
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD03422242
IUPAC Name:
2-(2-methylphenoxy)butanoic acid
InChI:
InChI=1S/C11H14O3/c1-3-9(11(12)13)14-10-7-5-4-6-8(10)2/h4-7,9H,3H2,1-2H3,(H,12,13)
InChI Key:
IHCFDXGPIABNTN-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Oc1ccccc1C
Properties
Complexity:
191  
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:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties