Home Carboxys 4-Oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

4-Oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

CAS No.:
477863-08-4
Catalog Number:
AG00IO4Y
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$252
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Product Description
Catalog Number:
AG00IO4Y
Chemical Name:
4-Oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CAS Number:
477863-08-4
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
MDL Number:
MFCD02570781
IUPAC Name:
4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
InChI:
InChI=1S/C8H9N3O3/c12-7-6-4-5(8(13)14)10-11(6)3-1-2-9-7/h4H,1-3H2,(H,9,12)(H,13,14)
InChI Key:
LFLRTNQEZPEXSH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2n(n1)CCCNC2=O
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.064g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.178g/mol
Monoisotopic Mass:
195.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties