5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid


Chemical Name: 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CAS Number: 518990-56-2
Product Number: AG00DJSU(AGN-PC-08XRCN)
Synonyms:
MDL No:
Molecular Formula: C12H17N3O4
Molecular Weight: 267.2811

Identification/Properties


Computed Properties
Molecular Weight:
267.285g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
267.122g/mol
Monoisotopic Mass:
267.122g/mol
Topological Polar Surface Area:
95.5A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
380
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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