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1331-32-4 | Oxirane, cyclohexenyl- (9CI)
CAS No: 1331-32-4 Catalog No: AG00149I MDL No:
Product Description
Catalog Number:
AG00149I
Chemical Name:
Oxirane, cyclohexenyl- (9CI)
CAS Number:
1331-32-4
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
1-ethenyl-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C8H12O/c1-2-8-6-4-3-5-7(8)9-8/h2,7H,1,3-6H2
InChI Key:
XAYDWGMOPRHLEP-UHFFFAOYSA-N
SMILES:
C1CCC(=CC1)C1CO1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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