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286456-64-2 | 3,5-Methanocyclopenta[b]pyrrole-6a(1H)-carboxylic acid, hexahydro-2-oxo-
CAS No: 286456-64-2 Catalog No: AG002VZ3 MDL No:MFCD24515724
Product Description
Catalog Number:
AG002VZ3
Chemical Name:
3,5-Methanocyclopenta[b]pyrrole-6a(1H)-carboxylic acid, hexahydro-2-oxo-
CAS Number:
286456-64-2
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD24515724
IUPAC Name:
5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxylic acid
InChI:
InChI=1S/C9H11NO3/c11-7-5-1-4-2-6(5)9(3-4,10-7)8(12)13/h4-6H,1-3H2,(H,10,11)(H,12,13)
InChI Key:
PBJDFNRYWNIDJL-UHFFFAOYSA-N
SMILES:
O=C1NC2(C3C1CC(C2)C3)C(=O)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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