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1674399-68-8 | 3-Pyridazineacetic acid, 6-amino-, ethyl ester
CAS No: 1674399-68-8 Catalog No: AG001XDV MDL No:
Product Description
Catalog Number:
AG001XDV
Chemical Name:
3-Pyridazineacetic acid, 6-amino-, ethyl ester
CAS Number:
1674399-68-8
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
IUPAC Name:
ethyl 2-(6-aminopyridazin-3-yl)acetate
InChI:
InChI=1S/C8H11N3O2/c1-2-13-8(12)5-6-3-4-7(9)11-10-6/h3-4H,2,5H2,1H3,(H2,9,11)
InChI Key:
VXDNHEVDJNTBFP-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(nn1)N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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