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131700-25-9 | Acetic acid, cyano[(2-hydroxyphenyl)azo]-, ethyl ester (9CI)
CAS No: 131700-25-9 Catalog No: AG000ZM0 MDL No:
Product Description
Catalog Number:
AG000ZM0
Chemical Name:
Acetic acid, cyano[(2-hydroxyphenyl)azo]-, ethyl ester (9CI)
CAS Number:
131700-25-9
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
IUPAC Name:
ethyl 2-cyano-2-[(2-hydroxyphenyl)diazenyl]acetate
InChI:
InChI=1S/C11H11N3O3/c1-2-17-11(16)9(7-12)14-13-8-5-3-4-6-10(8)15/h3-6,9,15H,2H2,1H3
InChI Key:
QKGMURKIIXEXBZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(N=Nc1ccccc1O)C#N
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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