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Home > Other Heterocycles > 7129-44-4
7129-44-4 | 3-Oxabicyclo[3.2.0]hept-6-ene
CAS No: 7129-44-4 Catalog No: AG005JQU MDL No:
Product Description
Catalog Number:
AG005JQU
Chemical Name:
3-Oxabicyclo[3.2.0]hept-6-ene
CAS Number:
7129-44-4
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
IUPAC Name:
3-oxabicyclo[3.2.0]hept-6-ene
InChI:
InChI=1S/C6H8O/c1-2-6-4-7-3-5(1)6/h1-2,5-6H,3-4H2
InChI Key:
RWPQXQFKTIQMBC-UHFFFAOYSA-N
SMILES:
O1CC2C(C1)C=C2
Properties
Complexity:
94.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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