Home Aminos (([(1E)-1-(1,3-Benzodioxol-5-yl)ethylidene]amino)oxy)acetic acid

(([(1E)-1-(1,3-Benzodioxol-5-yl)ethylidene]amino)oxy)acetic acid

CAS No.:
855716-75-5
Catalog Number:
AG00IDPK
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
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Product Description
Catalog Number:
AG00IDPK
Chemical Name:
(([(1E)-1-(1,3-Benzodioxol-5-yl)ethylidene]amino)oxy)acetic acid
CAS Number:
855716-75-5
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
MDL Number:
MFCD07324634
IUPAC Name:
2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetic acid
InChI:
InChI=1S/C11H11NO5/c1-7(12-17-5-11(13)14)8-2-3-9-10(4-8)16-6-15-9/h2-4H,5-6H2,1H3,(H,13,14)
InChI Key:
HEHGIGQYINOBGR-UHFFFAOYSA-N
SMILES:
OC(=O)CON=C(c1ccc2c(c1)OCO2)C
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.6  
Properties