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Home > Other Heterocycles > 89543-01-1
89543-01-1 | 2,3-Diazabicyclo[3.2.0]hept-2-en-7-one, 6-(2-methyl-1-propenylidene)-
CAS No: 89543-01-1 Catalog No: AG003YLK MDL No:
Product Description
Catalog Number:
AG003YLK
Chemical Name:
2,3-Diazabicyclo[3.2.0]hept-2-en-7-one, 6-(2-methyl-1-propenylidene)-
CAS Number:
89543-01-1
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
IUPAC Name:
6-(2-methylprop-1-enylidene)-2,3-diazabicyclo[3.2.0]hept-2-en-7-one
InChI:
InChI=1S/C9H10N2O/c1-5(2)3-6-7-4-10-11-8(7)9(6)12/h7-8H,4H2,1-2H3
InChI Key:
ANIULIXIGIAPTL-UHFFFAOYSA-N
SMILES:
CC(=C=C1C(=O)C2C1CN=N2)C
Properties
Complexity:
330
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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