Home Carboxys Phthalazine-1-carboxylic acid

Phthalazine-1-carboxylic acid

CAS No.:
801161-36-4
Catalog Number:
AG008NFV
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
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Product Description
Catalog Number:
AG008NFV
Chemical Name:
Phthalazine-1-carboxylic acid
CAS Number:
801161-36-4
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
MDL Number:
MFCD13193458
IUPAC Name:
phthalazine-1-carboxylic acid
InChI:
InChI=1S/C9H6N2O2/c12-9(13)8-7-4-2-1-3-6(7)5-10-11-8/h1-5H,(H,12,13)
InChI Key:
MLGFHJHBQIXXDW-UHFFFAOYSA-N
SMILES:
OC(=O)c1nncc2c1cccc2
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties