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Home > Indoles and Oxindole > 1820583-70-7
1820583-70-7 | rac-(3aR,5R,6S,7aS)-octahydro-1H-isoindole-5,6-diol hydrochloride
CAS No: 1820583-70-7 Catalog No: AG00J2AP MDL No:MFCD28024701
Product Description
Catalog Number:
AG00J2AP
Chemical Name:
rac-(3aR,5R,6S,7aS)-octahydro-1H-isoindole-5,6-diol hydrochloride
CAS Number:
1820583-70-7
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
MDL Number:
MFCD28024701
IUPAC Name:
(3aR,5R,6S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-5,6-diol;hydrochloride
InChI:
InChI=1S/C8H15NO2.ClH/c10-7-1-5-3-9-4-6(5)2-8(7)11;/h5-11H,1-4H2;1H/t5-,6+,7+,8-;
InChI Key:
NINXDDYEJBPMCT-WTSYXZODSA-N
SMILES:
O[C@@H]1C[C@H]2CNC[C@H]2C[C@@H]1O.Cl
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
193.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
193.671g/mol
Monoisotopic Mass:
193.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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