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Home > Other Heterocycles > 96444-16-5
96444-16-5 | 2-Oxabicyclo[3.1.0]hex-3-ene, (1S)-
CAS No: 96444-16-5 Catalog No: AG006743 MDL No:
Product Description
Catalog Number:
AG006743
Chemical Name:
2-Oxabicyclo[3.1.0]hex-3-ene, (1S)-
CAS Number:
96444-16-5
Molecular Formula:
C5H6O
Molecular Weight:
82.1005
IUPAC Name:
2-oxabicyclo[3.1.0]hex-3-ene
InChI:
InChI=1S/C5H6O/c1-2-6-5-3-4(1)5/h1-2,4-5H,3H2
InChI Key:
ARIVUZXAWGMSRT-UHFFFAOYSA-N
SMILES:
C1=CC2[C@@H](O1)C2
Properties
Complexity:
96.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.042g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
82.102g/mol
Monoisotopic Mass:
82.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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