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1280210-79-8 | Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-, 1,1-dimethylethyl ester
CAS No: 1280210-79-8 Catalog No: AG000XPC MDL No:MFCD22565651
Product Description
Catalog Number:
AG000XPC
Chemical Name:
Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2,6-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1280210-79-8
Molecular Formula:
C10H15N3O2
Molecular Weight:
209.2450
MDL Number:
MFCD22565651
IUPAC Name:
tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
InChI:
InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13/h4H,5-6H2,1-3H3,(H,11,12)
InChI Key:
IBUNCTVDGYIKAP-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)c[nH]n2)OC(C)(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.249g/mol
Monoisotopic Mass:
209.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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