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132414-78-9 | Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-1-(phenylmethyl)-, ethyl ester
CAS No: 132414-78-9 Catalog No: AG0010NT MDL No:
Product Description
Catalog Number:
AG0010NT
Chemical Name:
Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-1-(phenylmethyl)-, ethyl ester
CAS Number:
132414-78-9
Molecular Formula:
C16H22N2O2
Molecular Weight:
274.3581
IUPAC Name:
ethyl 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
InChI Key:
YPNVJYVXTBJLRR-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CC2C(C1)N(CC2)Cc1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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