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Home > Other Heterocycles > 2044773-09-1
2044773-09-1 | 5-{3,7-dioxabicyclo[4.1.0]heptan-6-yl}-1-methyl-1H-pyrazole
CAS No: 2044773-09-1 Catalog No: AG01B5RO MDL No:MFCD30486574
Product Description
Catalog Number:
AG01B5RO
Chemical Name:
5-{3,7-dioxabicyclo[4.1.0]heptan-6-yl}-1-methyl-1H-pyrazole
CAS Number:
2044773-09-1
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD30486574
IUPAC Name:
5-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)-1-methylpyrazole
InChI:
InChI=1S/C9H12N2O2/c1-11-7(2-4-10-11)9-3-5-12-6-8(9)13-9/h2,4,8H,3,5-6H2,1H3
InChI Key:
JDGCKWRXLSEDKU-UHFFFAOYSA-N
SMILES:
Cn1nccc1C12CCOCC2O1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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