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1160248-35-0 | Pyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylic acid, 4,6-dihydro-, 5-(1,1-dimethylethyl) ester
CAS No: 1160248-35-0 Catalog No: AG000BEY MDL No:MFCD12198804
Product Description
Catalog Number:
AG000BEY
Chemical Name:
Pyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylic acid, 4,6-dihydro-, 5-(1,1-dimethylethyl) ester
CAS Number:
1160248-35-0
Molecular Formula:
C11H14N3O4-
Molecular Weight:
252.2466
MDL Number:
MFCD12198804
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-4-6-7(5-14)12-13-8(6)9(15)16/h4-5H2,1-3H3,(H,12,13)(H,15,16)
InChI Key:
SBFDXYJFMPRVOE-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)c(n[nH]2)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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