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Home > Other Heterocycles > 2060062-10-2
2060062-10-2 | 5-{4-ethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-1-methyl-1H-pyrazole
CAS No: 2060062-10-2 Catalog No: AG01BQCJ MDL No:MFCD30501275
Product Description
Catalog Number:
AG01BQCJ
Chemical Name:
5-{4-ethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-1-methyl-1H-pyrazole
CAS Number:
2060062-10-2
Molecular Formula:
C12H18N2O
Molecular Weight:
206.2841
MDL Number:
MFCD30501275
IUPAC Name:
5-(4-ethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-1-methylpyrazole
InChI:
InChI=1S/C12H18N2O/c1-3-9-4-6-12(11(8-9)15-12)10-5-7-13-14(10)2/h5,7,9,11H,3-4,6,8H2,1-2H3
InChI Key:
BVVWRJBIRMNWHF-UHFFFAOYSA-N
SMILES:
CCC1CCC2(C(C1)O2)c1ccnn1C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.289g/mol
Monoisotopic Mass:
206.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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