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21141-03-7 | 4-Pyridazinecarboxylic acid, 3-amino-
CAS No: 21141-03-7 Catalog No: AG002LBM MDL No:MFCD01318258
Product Description
Catalog Number:
AG002LBM
Chemical Name:
4-Pyridazinecarboxylic acid, 3-amino-
CAS Number:
21141-03-7
Molecular Formula:
C5H5N3O2
Molecular Weight:
139.1121
MDL Number:
MFCD01318258
IUPAC Name:
3-aminopyridazine-4-carboxylic acid
InChI:
InChI=1S/C5H5N3O2/c6-4-3(5(9)10)1-2-7-8-4/h1-2H,(H2,6,8)(H,9,10)
InChI Key:
KCOOFYQDXAMIBZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnnc1N
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.114g/mol
Monoisotopic Mass:
139.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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