Home Carboxys Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3a,4,6,6a-tetrahydro-6a-hydroxy-, 1,1-dimethylethyl ester

Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3a,4,6,6a-tetrahydro-6a-hydroxy-, 1,1-dimethylethyl ester

CAS No.:
1211594-55-6
Catalog Number:
AG009CJY
Molecular Formula:
C10H17N3O3
Molecular Weight:
227.2603
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Product Description
Catalog Number:
AG009CJY
Chemical Name:
Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3a,4,6,6a-tetrahydro-6a-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1211594-55-6
Molecular Formula:
C10H17N3O3
Molecular Weight:
227.2603
MDL Number:
MFCD11616028
IUPAC Name:
tert-butyl 6a-hydroxy-1,3a,4,6-tetrahydropyrrolo[3,4-c]pyrazole-5-carboxylate
InChI:
InChI=1S/C10H17N3O3/c1-9(2,3)16-8(14)13-5-7-4-11-12-10(7,15)6-13/h4,7,12,15H,5-6H2,1-3H3
InChI Key:
RHQNBUOAURLQOG-UHFFFAOYSA-N
SMILES:
O=C(N1CC2C(C1)(O)NN=C2)OC(C)(C)C
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.127g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.264g/mol
Monoisotopic Mass:
227.127g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties