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148404-29-9

148404-29-9 | Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-5-oxo-, phenylmethyl ester

CAS No: 148404-29-9 Catalog No: AG001KW7 MDL No:MFCD15071648

Product Description

Catalog Number:
AG001KW7
Chemical Name:
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-5-oxo-, phenylmethyl ester
CAS Number:
148404-29-9
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
MDL Number:
MFCD15071648
IUPAC Name:
benzyl 5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
InChI:
InChI=1S/C15H17NO3/c17-14-6-12-8-16(9-13(12)7-14)15(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChI Key:
UKDGMCVWUBALEW-UHFFFAOYSA-N
SMILES:
O=C(N1CC2C(C1)CC(=O)C2)OCc1ccccc1

Properties

Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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