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1251003-99-2 | Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-4,6-dioxo-, 1,1-dimethylethyl ester, (3aR,6aS)-rel-
CAS No: 1251003-99-2 Catalog No: AG000N5T MDL No:MFCD12198658
Product Description
Catalog Number:
AG000N5T
Chemical Name:
Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-4,6-dioxo-, 1,1-dimethylethyl ester, (3aR,6aS)-rel-
CAS Number:
1251003-99-2
Molecular Formula:
C11H16N2O4
Molecular Weight:
240.2557
MDL Number:
MFCD12198658
IUPAC Name:
tert-butyl (3aS,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate
InChI:
InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)13-4-6-7(5-13)9(15)12-8(6)14/h6-7H,4-5H2,1-3H3,(H,12,14,15)/t6-,7+
InChI Key:
USCALLITBKYYAE-KNVOCYPGSA-N
SMILES:
O=C(N1C[C@@H]2[C@H](C1)C(=O)NC2=O)OC(C)(C)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
240.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.259g/mol
Monoisotopic Mass:
240.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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