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Home > Indoles and Oxindole > 52865-01-7
52865-01-7 | (3AR,5S,7aS)-rel-5-Hydroxy-2H-isoindole hydrochloride
CAS No: 52865-01-7 Catalog No: AG00IKQK MDL No:MFCD24850019
Product Description
Catalog Number:
AG00IKQK
Chemical Name:
(3AR,5S,7aS)-rel-5-Hydroxy-2H-isoindole hydrochloride
CAS Number:
52865-01-7
Molecular Formula:
C8H16ClNO
Molecular Weight:
177.6717
MDL Number:
MFCD24850019
IUPAC Name:
(3aR,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ol;hydrochloride
InChI:
InChI=1S/C8H15NO.ClH/c10-8-2-1-6-4-9-5-7(6)3-8;/h6-10H,1-5H2;1H/t6-,7+,8+;/m1./s1
InChI Key:
RQZXEQGQTRITTG-MWDCIYOWSA-N
SMILES:
O[C@H]1CC[C@H]2[C@@H](C1)CNC2.Cl
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
177.092g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.672g/mol
Monoisotopic Mass:
177.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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