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Home > Other Heterocycles > 130931-83-8
130931-83-8 | 2-Azabicyclo[2.2.1]hept-5-en-3-one, (1S,4R)-
CAS No: 130931-83-8 Catalog No: AG000V3X MDL No:MFCD00211275
Product Description
Catalog Number:
AG000V3X
Chemical Name:
2-Azabicyclo[2.2.1]hept-5-en-3-one, (1S,4R)-
CAS Number:
130931-83-8
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD00211275
IUPAC Name:
(1S,4R)-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+/m0/s1
InChI Key:
DDUFYKNOXPZZIW-CRCLSJGQSA-N
SMILES:
C1[C@@H]2C=C[C@H]1NC2=O
EC Number:
627-840-6
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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