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1353970-02-1 | [(6-Methoxy-pyridazin-3-ylmethyl)-amino]-acetic acid
CAS No: 1353970-02-1 Catalog No: AG01F8I1 MDL No:
Product Description
Catalog Number:
AG01F8I1
Chemical Name:
[(6-Methoxy-pyridazin-3-ylmethyl)-amino]-acetic acid
CAS Number:
1353970-02-1
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
IUPAC Name:
2-[(6-methoxypyridazin-3-yl)methylamino]acetic acid
InChI:
InChI=1S/C8H11N3O3/c1-14-7-3-2-6(10-11-7)4-9-5-8(12)13/h2-3,9H,4-5H2,1H3,(H,12,13)
InChI Key:
BFKPSILAUYVGHT-UHFFFAOYSA-N
SMILES:
COc1ccc(nn1)CNCC(=O)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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