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Home > Other Heterocycles > 2060033-42-1
2060033-42-1 | 1-methyl-5-{6-oxabicyclo[3.1.0]hexan-1-yl}-1H-pyrazole
CAS No: 2060033-42-1 Catalog No: AG01BQCN MDL No:MFCD30501279
Product Description
Catalog Number:
AG01BQCN
Chemical Name:
1-methyl-5-{6-oxabicyclo[3.1.0]hexan-1-yl}-1H-pyrazole
CAS Number:
2060033-42-1
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD30501279
IUPAC Name:
1-methyl-5-(6-oxabicyclo[3.1.0]hexan-1-yl)pyrazole
InChI:
InChI=1S/C9H12N2O/c1-11-7(4-6-10-11)9-5-2-3-8(9)12-9/h4,6,8H,2-3,5H2,1H3
InChI Key:
UOICFYFATRYHCZ-UHFFFAOYSA-N
SMILES:
Cn1nccc1C12CCCC2O1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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