Home Carbonyls Cis-1-benzyl-5-ethoxycarbonylhexahydropyrrolo[3,4-b]pyrrole

Cis-1-benzyl-5-ethoxycarbonylhexahydropyrrolo[3,4-b]pyrrole

CAS No.:
894853-99-7
Catalog Number:
AG003OXP
Molecular Formula:
C16H22N2O2
Molecular Weight:
274.3581
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$150
- +
1g
≥95%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG003OXP
Chemical Name:
Cis-1-benzyl-5-ethoxycarbonylhexahydropyrrolo[3,4-b]pyrrole
CAS Number:
894853-99-7
Molecular Formula:
C16H22N2O2
Molecular Weight:
274.3581
MDL Number:
MFCD27500635
IUPAC Name:
ethyl (3aS,6aS)-1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate
InChI:
InChI=1S/C16H22N2O2/c1-2-20-16(19)18-11-14-8-9-17(15(14)12-18)10-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3/t14-,15+/m0/s1
InChI Key:
YPNVJYVXTBJLRR-LSDHHAIUSA-N
SMILES:
CCOC(=O)N1C[C@H]2[C@@H](C1)N(CC2)Cc1ccccc1
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
274.168g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.364g/mol
Monoisotopic Mass:
274.168g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties