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34668-54-7 | 9-Azabicyclo[4.2.1]nona-2,4-diene-9-carboxaldehyde
CAS No: 34668-54-7 Catalog No: AG007CVZ MDL No:
Product Description
Catalog Number:
AG007CVZ
Chemical Name:
9-Azabicyclo[4.2.1]nona-2,4-diene-9-carboxaldehyde
CAS Number:
34668-54-7
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
9-azabicyclo[4.2.1]nona-2,4-diene-9-carbaldehyde
InChI:
InChI=1S/C9H11NO/c11-7-10-8-3-1-2-4-9(10)6-5-8/h1-4,7-9H,5-6H2
InChI Key:
KCJXPTVMHWTPFQ-UHFFFAOYSA-N
SMILES:
O=CN1C2CCC1C=CC=C2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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