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Home > Aldehydes > 833458-81-4
833458-81-4 | 3-Azabicyclo[3.2.1]octane-6-acetaldehyde, 7-formyl-3-(phenylmethyl)-
CAS No: 833458-81-4 Catalog No: AG004W8T MDL No:
Product Description
Catalog Number:
AG004W8T
Chemical Name:
3-Azabicyclo[3.2.1]octane-6-acetaldehyde, 7-formyl-3-(phenylmethyl)-
CAS Number:
833458-81-4
Molecular Formula:
C17H21NO2
Molecular Weight:
271.3541
IUPAC Name:
3-benzyl-7-(2-oxoethyl)-3-azabicyclo[3.2.1]octane-6-carbaldehyde
InChI:
InChI=1S/C17H21NO2/c19-7-6-16-14-8-15(17(16)12-20)11-18(10-14)9-13-4-2-1-3-5-13/h1-5,7,12,14-17H,6,8-11H2
InChI Key:
YUUOBAORLDGYPB-UHFFFAOYSA-N
SMILES:
O=CCC1C2CN(CC(C1C=O)C2)Cc1ccccc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.157g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.36g/mol
Monoisotopic Mass:
271.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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