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952182-88-6

952182-88-6 | 4-(4-methoxyphenyl)-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one

CAS No: 952182-88-6 Catalog No: AG00IW67 MDL No:MFCD09152700

Product Description

Catalog Number:
AG00IW67
Chemical Name:
4-(4-methoxyphenyl)-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one
CAS Number:
952182-88-6
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
MDL Number:
MFCD09152700
IUPAC Name:
4-(4-methoxyphenyl)-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C12H9N3O3/c1-17-8-4-2-7(3-5-8)10-9-6-18-15-11(9)12(16)14-13-10/h2-6H,1H3,(H,14,16)
InChI Key:
AVSDLKCPVLCUBK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1n[nH]c(=O)c2c1con2

Properties

Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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