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173954-65-9 | 3-Isoxazolecarboxylic acid, 4-[[5-(dimethylamino)-2-furanyl]methylene]-4,5-dihydro-5-oxo-
CAS No: 173954-65-9 Catalog No: AG001ZBS MDL No:
Product Description
Catalog Number:
AG001ZBS
Chemical Name:
3-Isoxazolecarboxylic acid, 4-[[5-(dimethylamino)-2-furanyl]methylene]-4,5-dihydro-5-oxo-
CAS Number:
173954-65-9
Molecular Formula:
C11H10N2O5
Molecular Weight:
250.2075
IUPAC Name:
4-[[5-(dimethylamino)furan-2-yl]methylidene]-5-oxo-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O5/c1-13(2)8-4-3-6(17-8)5-7-9(10(14)15)12-18-11(7)16/h3-5H,1-2H3,(H,14,15)
InChI Key:
ZFCXYOQADFFZAK-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1=Cc1ccc(o1)N(C)C)C(=O)O
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.21g/mol
Monoisotopic Mass:
250.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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