Home Other Building Blocks 2-benzoyl-octahydropyrrolo[3,4-c]pyrrole hydrochloride, cis

2-benzoyl-octahydropyrrolo[3,4-c]pyrrole hydrochloride, cis

CAS No.:
1694642-67-5
Catalog Number:
AG01B2FI
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
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Product Description
Catalog Number:
AG01B2FI
Chemical Name:
2-benzoyl-octahydropyrrolo[3,4-c]pyrrole hydrochloride, cis
CAS Number:
1694642-67-5
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
MDL Number:
MFCD29907408
IUPAC Name:
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-phenylmethanone;hydrochloride
InChI:
InChI=1S/C13H16N2O.ClH/c16-13(10-4-2-1-3-5-10)15-8-11-6-14-7-12(11)9-15;/h1-5,11-12,14H,6-9H2;1H/t11-,12+;
InChI Key:
QCGWQISAAKKEBF-IWKKHLOMSA-N
SMILES:
O=C(c1ccccc1)N1C[C@@H]2[C@H](C1)CNC2.Cl
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
252.103g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.742g/mol
Monoisotopic Mass:
252.103g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties