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Home > Other Heterocycles > 1334412-35-9
1334412-35-9 | 1-(Hydroxymethyl)-2-azabicyclo[2.2.2]octan-3-one
CAS No: 1334412-35-9 Catalog No: AG00HSWY MDL No:MFCD20261415
Product Description
Catalog Number:
AG00HSWY
Chemical Name:
1-(Hydroxymethyl)-2-azabicyclo[2.2.2]octan-3-one
CAS Number:
1334412-35-9
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD20261415
IUPAC Name:
1-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C8H13NO2/c10-5-8-3-1-6(2-4-8)7(11)9-8/h6,10H,1-5H2,(H,9,11)
InChI Key:
TWYQQDHZKSEDPD-UHFFFAOYSA-N
SMILES:
OCC12CCC(CC1)C(=O)N2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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