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Home > Other Heterocycles > 2059936-41-1
2059936-41-1 | 1-methyl-5-{7-oxabicyclo[4.1.0]heptan-1-yl}-1H-pyrazole
CAS No: 2059936-41-1 Catalog No: AG01BQCI MDL No:MFCD30501274
Product Description
Catalog Number:
AG01BQCI
Chemical Name:
1-methyl-5-{7-oxabicyclo[4.1.0]heptan-1-yl}-1H-pyrazole
CAS Number:
2059936-41-1
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD30501274
IUPAC Name:
1-methyl-5-(7-oxabicyclo[4.1.0]heptan-1-yl)pyrazole
InChI:
InChI=1S/C10H14N2O/c1-12-8(5-7-11-12)10-6-3-2-4-9(10)13-10/h5,7,9H,2-4,6H2,1H3
InChI Key:
SGZLHAJHGNFKNK-UHFFFAOYSA-N
SMILES:
Cn1nccc1C12CCCCC2O1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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