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Home Aminos Propanoic acid, 3-[(2-hydroxyphenyl)amino]-3-oxo-

Propanoic acid, 3-[(2-hydroxyphenyl)amino]-3-oxo-

CAS No.:
211111-51-2
Catalog Number:
AG002L61
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG002L61
Chemical Name:
Propanoic acid, 3-[(2-hydroxyphenyl)amino]-3-oxo-
CAS Number:
211111-51-2
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD20638773
IUPAC Name:
3-(2-hydroxyanilino)-3-oxopropanoic acid
InChI:
InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)10-8(12)5-9(13)14/h1-4,11H,5H2,(H,10,12)(H,13,14)
InChI Key:
TXXGQRAXXNILFB-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1O)CC(=O)O
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Development of a pressurized liquid extraction-solid-phase extraction followed by liquid chromatography-electrospray ionization tandem mass spectrometry method for the quantitative determination of benzoxazolinones and their degradation products in agricultural soil. Journal of chromatography. A 20080201
Interactions of Bacillus mojavensis and Fusarium verticillioides with a benzoxazolinone (BOA) and its transformation product, APO. Journal of chemical ecology 20071001
Isolation and synthesis of allelochemicals from gramineae: benzoxazinones and related compounds. Journal of agricultural and food chemistry 20060222
QSAR models for Daphnia magna toxicity prediction of benzoxazinone allelochemicals and their transformation products. Journal of agricultural and food chemistry 20060222
Properties