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ethyl 1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrole-2-carboxylate

ethyl 1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrole-2-carboxylate

CAS: 2107836-53-1

Formula: C12H17NO2

SMILES: CCOC(=O)C1=CC2=C(CCCCC2)N1

IUPAC: ethyl 1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrole-2-carboxylate

InChI: InChI=1S/C12H17NO2/c1-2-15-12(14)11-8-9-6-4-3-5-7-10(9)13-11/h8,13H,2-7H2,1H3

Composition: C (69.54%), H (8.27%), N (6.76%), O (15.44%)

Molar Mass: 207.273

Atom Count: 32

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 207.125928791
Formal Charge 0
FSP3 0.58
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey AGGVUKQHUDLYRA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.58
Topological Polar Surface Area 42.09
Polarizability 22.63
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
98% <10 Days 2107836-53-1 Quote Only
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97% <5 Days 2107836-53-1 $79.44-$482.96$79.44$182.85$482.96
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