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147510-61-0 | Benzenecarboximidic acid, 3,4-dihydroxy-, ethyl ester
CAS No: 147510-61-0 Catalog No: AG001EXJ MDL No:
Product Description
Catalog Number:
AG001EXJ
Chemical Name:
Benzenecarboximidic acid, 3,4-dihydroxy-, ethyl ester
CAS Number:
147510-61-0
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
ethyl 3,4-dihydroxybenzenecarboximidate
InChI:
InChI=1S/C9H11NO3/c1-2-13-9(10)6-3-4-7(11)8(12)5-6/h3-5,10-12H,2H2,1H3
InChI Key:
SQINXQATAXZPIR-UHFFFAOYSA-N
SMILES:
CCOC(=N)c1ccc(c(c1)O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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