Home Other Building Blocks 3-(5-methylfuran-2-yl)propanoic acid

3-(5-methylfuran-2-yl)propanoic acid

CAS No.:
1456-08-2
Catalog Number:
AG019TIX
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
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Product Description
Catalog Number:
AG019TIX
Chemical Name:
3-(5-methylfuran-2-yl)propanoic acid
CAS Number:
1456-08-2
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD02323192
IUPAC Name:
3-(5-methylfuran-2-yl)propanoic acid
InChI:
InChI=1S/C8H10O3/c1-6-2-3-7(11-6)4-5-8(9)10/h2-3H,4-5H2,1H3,(H,9,10)
InChI Key:
IGKLZYYMKYWZRS-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)CCC(=O)O
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
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