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87624-00-8 | Cyclohepta[b]pyrrole, 1-acetyldecahydro-, cis-
CAS No: 87624-00-8 Catalog No: AG004LQ6 MDL No:
Product Description
Catalog Number:
AG004LQ6
Chemical Name:
Cyclohepta[b]pyrrole, 1-acetyldecahydro-, cis-
CAS Number:
87624-00-8
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
IUPAC Name:
1-[(3aS,8aS)-3,3a,4,5,6,7,8,8a-octahydro-2H-cyclohepta[b]pyrrol-1-yl]ethanone
InChI:
InChI=1S/C11H19NO/c1-9(13)12-8-7-10-5-3-2-4-6-11(10)12/h10-11H,2-8H2,1H3/t10-,11-/m0/s1
InChI Key:
KJXHJTUQWASDTO-QWRGUYRKSA-N
SMILES:
CC(=O)N1CC[C@H]2[C@@H]1CCCCC2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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