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1197193-41-1 | 3-Pyridazinecarboxylic acid, 6-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 1197193-41-1 Catalog No: AG000PJT MDL No:MFCD13191593
Product Description
Catalog Number:
AG000PJT
Chemical Name:
3-Pyridazinecarboxylic acid, 6-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
1197193-41-1
Molecular Formula:
C13H11N3O4
Molecular Weight:
273.2441
MDL Number:
MFCD13191593
IUPAC Name:
6-(phenylmethoxycarbonylamino)pyridazine-3-carboxylic acid
InChI:
InChI=1S/C13H11N3O4/c17-12(18)10-6-7-11(16-15-10)14-13(19)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)(H,14,16,19)
InChI Key:
KVFWTVOPDZLMAY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(nn1)C(=O)O)OCc1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.248g/mol
Monoisotopic Mass:
273.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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