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Home > Aldehydes > 1781102-69-9
1781102-69-9 | 4-{2-oxa-5-azabicyclo[2.2.1]heptan-5-yl}benzaldehyde
CAS No: 1781102-69-9 Catalog No: AG01C8W9 MDL No:MFCD31443343
Product Description
Catalog Number:
AG01C8W9
Chemical Name:
4-{2-oxa-5-azabicyclo[2.2.1]heptan-5-yl}benzaldehyde
CAS Number:
1781102-69-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD31443343
IUPAC Name:
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)benzaldehyde
InChI:
InChI=1S/C12H13NO2/c14-7-9-1-3-10(4-2-9)13-6-12-5-11(13)8-15-12/h1-4,7,11-12H,5-6,8H2
InChI Key:
JSFDTNYNKLFKGE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CC2CC1CO2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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