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Home Carboxys Methyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate

Methyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate

CAS No.:
163213-38-5
Catalog Number:
AG001TVI
Molecular Formula:
C9H11N3O3
Molecular Weight:
209.2019
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$323
- +
5g
97%
1 week
United States
$1007
- +
10g
97%
1 week
United States
$1655
- +
Product Description
Catalog Number:
AG001TVI
Chemical Name:
Methyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CAS Number:
163213-38-5
Molecular Formula:
C9H11N3O3
Molecular Weight:
209.2019
MDL Number:
MFCD02570753
IUPAC Name:
methyl 4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
InChI:
InChI=1S/C9H11N3O3/c1-15-9(14)6-5-7-8(13)10-3-2-4-12(7)11-6/h5H,2-4H2,1H3,(H,10,13)
InChI Key:
VWXQPZYUOQXYLQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn2c(c1)C(=O)NCCC2
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.205g/mol
Monoisotopic Mass:
209.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties