Home Carboxys 3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid

3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1801270-07-4
Catalog Number:
AG01B2O1
Molecular Formula:
C14H11N3O4
Molecular Weight:
285.2548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B2O1
Chemical Name:
3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1801270-07-4
Molecular Formula:
C14H11N3O4
Molecular Weight:
285.2548
MDL Number:
MFCD30344900
IUPAC Name:
3-[(1,3-dioxoisoindol-2-yl)methyl]-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C14H11N3O4/c1-16-6-10(14(20)21)11(15-16)7-17-12(18)8-4-2-3-5-9(8)13(17)19/h2-6H,7H2,1H3,(H,20,21)
InChI Key:
BKSSCQWZROKDJG-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)CN1C(=O)c2c(C1=O)cccc2)C(=O)O
Properties
Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.075g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.259g/mol
Monoisotopic Mass:
285.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties