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Home Other Building Blocks 2-(N-methylcyclopropaneamido)benzoic acid

2-(N-methylcyclopropaneamido)benzoic acid

CAS No.:
716372-69-9
Catalog Number:
AG019UXB
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG019UXB
Chemical Name:
2-(N-methylcyclopropaneamido)benzoic acid
CAS Number:
716372-69-9
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD06326874
IUPAC Name:
2-[cyclopropanecarbonyl(methyl)amino]benzoic acid
InChI:
InChI=1S/C12H13NO3/c1-13(11(14)8-6-7-8)10-5-3-2-4-9(10)12(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChI Key:
AWOJOHWMTXGZED-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccccc1C(=O)O)C)C1CC1
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties