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Home > Other Heterocycles > 2060060-03-7
2060060-03-7 | 5-{3,5-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-1-methyl-1H-pyrazole
CAS No: 2060060-03-7 Catalog No: AG01BQCK MDL No:MFCD30501276
Product Description
Catalog Number:
AG01BQCK
Chemical Name:
5-{3,5-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-1-methyl-1H-pyrazole
CAS Number:
2060060-03-7
Molecular Formula:
C12H18N2O
Molecular Weight:
206.2841
MDL Number:
MFCD30501276
IUPAC Name:
5-(3,5-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-1-methylpyrazole
InChI:
InChI=1S/C12H18N2O/c1-8-6-9(2)11-12(7-8,15-11)10-4-5-13-14(10)3/h4-5,8-9,11H,6-7H2,1-3H3
InChI Key:
RNMHVGCSZYDRSP-UHFFFAOYSA-N
SMILES:
CC1CC(C)C2C(C1)(O2)c1ccnn1C
Properties
Complexity:
270
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:
1
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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