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Home > Other Heterocycles > 92469-49-3
92469-49-3 | Bicyclo[3.2.0]hepta-3,6-dien-2-one, (1S)-
CAS No: 92469-49-3 Catalog No: AG0065DB MDL No:
Product Description
Catalog Number:
AG0065DB
Chemical Name:
Bicyclo[3.2.0]hepta-3,6-dien-2-one, (1S)-
CAS Number:
92469-49-3
Molecular Formula:
C7H6O
Molecular Weight:
106.1219
IUPAC Name:
bicyclo[3.2.0]hepta-3,6-dien-2-one
InChI:
InChI=1S/C7H6O/c8-7-4-2-5-1-3-6(5)7/h1-6H
InChI Key:
MPLZNSSYMBHANZ-UHFFFAOYSA-N
SMILES:
O=C1C=CC2[C@@H]1C=C2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.042g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.124g/mol
Monoisotopic Mass:
106.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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