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Home > Other Heterocycles > 16859-58-8
16859-58-8 | Oxirane, 2-bicyclo[2.2.1]hept-5-en-2-yl-
CAS No: 16859-58-8 Catalog No: AG001Y66 MDL No:
Product Description
Catalog Number:
AG001Y66
Chemical Name:
Oxirane, 2-bicyclo[2.2.1]hept-5-en-2-yl-
CAS Number:
16859-58-8
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
2-(2-bicyclo[2.2.1]hept-5-enyl)oxirane
InChI:
InChI=1S/C9H12O/c1-2-7-3-6(1)4-8(7)9-5-10-9/h1-2,6-9H,3-5H2
InChI Key:
OPRBIXRROSYFNV-UHFFFAOYSA-N
SMILES:
C1=CC2CC1CC2C1CO1
NSC Number:
61539
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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