Home Other Building Blocks 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoic acid

3-[5-(2-methylcyclopropyl)furan-2-yl]propanoic acid

CAS No.:
874623-62-8
Catalog Number:
AG019PFT
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG019PFT
Chemical Name:
3-[5-(2-methylcyclopropyl)furan-2-yl]propanoic acid
CAS Number:
874623-62-8
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD07692341
IUPAC Name:
3-[5-(2-methylcyclopropyl)furan-2-yl]propanoic acid
InChI:
InChI=1S/C11H14O3/c1-7-6-9(7)10-4-2-8(14-10)3-5-11(12)13/h2,4,7,9H,3,5-6H2,1H3,(H,12,13)
InChI Key:
UGXZHPJNQVWWGB-UHFFFAOYSA-N
SMILES:
CC1CC1c1ccc(o1)CCC(=O)O
Properties
Complexity:
227  
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:
50.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
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