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Home > Other Heterocycles > 79200-56-9
79200-56-9 | (1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one
CAS No: 79200-56-9 Catalog No: AG0035WR MDL No:MFCD00211274
Product Description
Catalog Number:
AG0035WR
Chemical Name:
(1R,4S)-2-Azabicyclo[2.2.1]hept-5-en-3-one
CAS Number:
79200-56-9
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00211274
IUPAC Name:
(1R,4S)-2-azabicyclo[2.2.1]hept-5-en-3-one
InChI:
InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m1/s1
InChI Key:
DDUFYKNOXPZZIW-UHNVWZDZSA-N
SMILES:
C1[C@H]2C=C[C@@H]1NC2=O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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