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Home Aminos 3-[(4-Methylphenyl)amino]-3-oxopropanoic acid

3-[(4-Methylphenyl)amino]-3-oxopropanoic acid

CAS No.:
95262-01-4
Catalog Number:
AG005SNF
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$205
- +
1g
1 week
United States
$510
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Product Description
Catalog Number:
AG005SNF
Chemical Name:
3-[(4-Methylphenyl)amino]-3-oxopropanoic acid
CAS Number:
95262-01-4
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD01794761
IUPAC Name:
3-(4-methylanilino)-3-oxopropanoic acid
InChI:
InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)11-9(12)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChI Key:
BMKFYQZTVRBBDO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C)CC(=O)O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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