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1268520-16-6 | Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-1-methyl-, 1,1-dimethylethyl ester
CAS No: 1268520-16-6 Catalog No: AG000TCP MDL No:
Product Description
Catalog Number:
AG000TCP
Chemical Name:
Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-1-methyl-, 1,1-dimethylethyl ester
CAS Number:
1268520-16-6
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
IUPAC Name:
tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
InChI:
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-6-8-5-12-13(4)9(8)7-14/h5H,6-7H2,1-4H3
InChI Key:
KGBHFJOKPVPTJF-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)cnn2C)OC(C)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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