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Home > Indoles and Oxindole > 1152111-94-8
1152111-94-8 | 4,7-Epoxy-1H-isoindole, octahydro-, (3aR,4S,7R,7aS)-rel-
CAS No: 1152111-94-8 Catalog No: AG000GG0 MDL No:MFCD19690777
Product Description
Catalog Number:
AG000GG0
Chemical Name:
4,7-Epoxy-1H-isoindole, octahydro-, (3aR,4S,7R,7aS)-rel-
CAS Number:
1152111-94-8
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD19690777
IUPAC Name:
(3aR,4S,7R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-4,7-epoxyisoindole
InChI:
InChI=1S/C8H13NO/c1-2-8-6-4-9-3-5(6)7(1)10-8/h5-9H,1-4H2/t5-,6+,7-,8+
InChI Key:
GPLRZNABQAUBOS-KVFPUHGPSA-N
SMILES:
N1C[C@@H]2[C@H](C1)[C@H]1O[C@@H]2CC1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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