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Home > Indoles and Oxindole > 5263-68-3
5263-68-3 | (3AR,4S,7R,7aS);-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole
CAS No: 5263-68-3 Catalog No: AG003BHG MDL No:MFCD12027105
Product Description
Catalog Number:
AG003BHG
Chemical Name:
(3AR,4S,7R,7aS);-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole
CAS Number:
5263-68-3
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
MDL Number:
MFCD12027105
IUPAC Name:
(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene
InChI:
InChI=1S/C9H13N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h1-2,6-10H,3-5H2/t6-,7+,8-,9+
InChI Key:
CJMPQJDYEONFGO-SPJNRGJMSA-N
SMILES:
N1C[C@@H]2[C@H](C1)[C@H]1C[C@@H]2C=C1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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