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Home > Other Heterocycles > 2060041-50-9
2060041-50-9 | 2-{3,7-dioxabicyclo[4.1.0]heptan-6-yl}-1-methyl-1H-pyrrole
CAS No: 2060041-50-9 Catalog No: AG01BQCS MDL No:MFCD30501284
Product Description
Catalog Number:
AG01BQCS
Chemical Name:
2-{3,7-dioxabicyclo[4.1.0]heptan-6-yl}-1-methyl-1H-pyrrole
CAS Number:
2060041-50-9
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD30501284
IUPAC Name:
2-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)-1-methylpyrrole
InChI:
InChI=1S/C10H13NO2/c1-11-5-2-3-8(11)10-4-6-12-7-9(10)13-10/h2-3,5,9H,4,6-7H2,1H3
InChI Key:
KMCFOOYZOFAIAO-UHFFFAOYSA-N
SMILES:
Cn1cccc1C12CCOCC2O1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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