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Home > Indoles and Oxindole > 2137147-02-3
2137147-02-3 | [(3aS,7aR)-7a-(hydroxymethyl)-octahydro-1H-isoindol-3a-yl]methanol hydrochloride
CAS No: 2137147-02-3 Catalog No: AG01EJ5F MDL No:MFCD31629036
Product Description
Catalog Number:
AG01EJ5F
Chemical Name:
[(3aS,7aR)-7a-(hydroxymethyl)-octahydro-1H-isoindol-3a-yl]methanol hydrochloride
CAS Number:
2137147-02-3
Molecular Formula:
C10H20ClNO2
Molecular Weight:
221.7243
MDL Number:
MFCD31629036
IUPAC Name:
[(3aS,7aR)-7a-(hydroxymethyl)-2,3,4,5,6,7-hexahydro-1H-isoindol-3a-yl]methanol;hydrochloride
InChI:
InChI=1S/C10H19NO2.ClH/c12-7-9-3-1-2-4-10(9,8-13)6-11-5-9;/h11-13H,1-8H2;1H/t9-,10+;
InChI Key:
PKXPRDZCQZMRDC-JMVWIVNTSA-N
SMILES:
OC[C@]12CNC[C@]2(CO)CCCC1.Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
221.118g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
221.725g/mol
Monoisotopic Mass:
221.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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