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Home > Other Heterocycles > 2060028-95-5
2060028-95-5 | 1-methyl-5-{7-oxaspiro[bicyclo[4.1.0]heptane-3,1'-cyclopropane]-6-yl}-1H-pyrazole
CAS No: 2060028-95-5 Catalog No: AG01BQCM MDL No:MFCD30501278
Product Description
Catalog Number:
AG01BQCM
Chemical Name:
1-methyl-5-{7-oxaspiro[bicyclo[4.1.0]heptane-3,1'-cyclopropane]-6-yl}-1H-pyrazole
CAS Number:
2060028-95-5
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD30501278
IUPAC Name:
1-methyl-5-spiro[7-oxabicyclo[4.1.0]heptane-4,1'-cyclopropane]-1-ylpyrazole
InChI:
InChI=1S/C12H16N2O/c1-14-9(2-7-13-14)12-6-5-11(3-4-11)8-10(12)15-12/h2,7,10H,3-6,8H2,1H3
InChI Key:
FBCZCUABTSSJAW-UHFFFAOYSA-N
SMILES:
Cn1nccc1C12CCC3(CC2O1)CC3
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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