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147510-60-9 | Benzenecarboximidic acid, 3,4,5-trihydroxy-, ethyl ester
CAS No: 147510-60-9 Catalog No: AG001EXK MDL No:
Product Description
Catalog Number:
AG001EXK
Chemical Name:
Benzenecarboximidic acid, 3,4,5-trihydroxy-, ethyl ester
CAS Number:
147510-60-9
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
ethyl 3,4,5-trihydroxybenzenecarboximidate
InChI:
InChI=1S/C9H11NO4/c1-2-14-9(10)5-3-6(11)8(13)7(12)4-5/h3-4,10-13H,2H2,1H3
InChI Key:
ABLUHKFOYFHHOI-UHFFFAOYSA-N
SMILES:
CCOC(=N)c1cc(O)c(c(c1)O)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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