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Home > Other Heterocycles > 100465-35-8
100465-35-8 | 2-Azabicyclo[2.2.0]hex-5-en-3-one, 6-methyl-
CAS No: 100465-35-8 Catalog No: AG000229 MDL No:
Product Description
Catalog Number:
AG000229
Chemical Name:
2-Azabicyclo[2.2.0]hex-5-en-3-one, 6-methyl-
CAS Number:
100465-35-8
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
IUPAC Name:
6-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one
InChI:
InChI=1S/C6H7NO/c1-3-2-4-5(3)7-6(4)8/h2,4-5H,1H3,(H,7,8)
InChI Key:
PRRNAOAODLUZRI-UHFFFAOYSA-N
SMILES:
O=C1NC2C1C=C2C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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