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1026853-23-5 | Pyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylic acid, 4,6-dihydro-, 5-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 1026853-23-5 Catalog No: AG00083R MDL No:MFCD12198788
Product Description
Catalog Number:
AG00083R
Chemical Name:
Pyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylic acid, 4,6-dihydro-, 5-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
1026853-23-5
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
MDL Number:
MFCD12198788
IUPAC Name:
5-O-tert-butyl 3-O-ethyl 4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxylate
InChI:
InChI=1S/C13H19N3O4/c1-5-19-11(17)10-8-6-16(7-9(8)14-15-10)12(18)20-13(2,3)4/h5-7H2,1-4H3,(H,14,15)
InChI Key:
MHWYLDOKAIBUKI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.312g/mol
Monoisotopic Mass:
281.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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