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89853-75-8 | 3-pyridazin-3-ylalanine
CAS No: 89853-75-8 Catalog No: AG003X36 MDL No:
Product Description
Catalog Number:
AG003X36
Chemical Name:
3-pyridazin-3-ylalanine
CAS Number:
89853-75-8
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
IUPAC Name:
2-amino-3-pyridazin-3-ylpropanoic acid
InChI:
InChI=1S/C7H9N3O2/c8-6(7(11)12)4-5-2-1-3-9-10-5/h1-3,6H,4,8H2,(H,11,12)
InChI Key:
BGMINVIHGGTWEC-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)O)Cc1cccnn1
NSC Number:
88418
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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