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CHEMHERE CHEM96394

CAS No.:
60889-22-7
Catalog Number:
AG01BPMQ
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG01BPMQ
Chemical Name:
CHEMHERE CHEM96394
CAS Number:
60889-22-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD28682111
IUPAC Name:
7-methoxy-2H-phthalazin-1-one
InChI:
InChI=1S/C9H8N2O2/c1-13-7-3-2-6-5-10-11-9(12)8(6)4-7/h2-5H,1H3,(H,11,12)
InChI Key:
YIZCCTNPTLWTFJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)[nH]nc2
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties