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114915-67-2 | 3H-Indeno[1,2-c]pyridazin-3-one, 8-amino-2,4,4a,5-tetrahydro-
CAS No: 114915-67-2 Catalog No: AG000FFQ MDL No:
Product Description
Catalog Number:
AG000FFQ
Chemical Name:
3H-Indeno[1,2-c]pyridazin-3-one, 8-amino-2,4,4a,5-tetrahydro-
CAS Number:
114915-67-2
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
8-amino-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
InChI:
InChI=1S/C11H11N3O/c12-8-2-1-6-3-7-4-10(15)13-14-11(7)9(6)5-8/h1-2,5,7H,3-4,12H2,(H,13,15)
InChI Key:
SHLKSZCXCGJHBR-UHFFFAOYSA-N
SMILES:
O=C1NN=C2C(C1)Cc1c2cc(cc1)N
NSC Number:
627012
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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