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Home > Other Heterocycles > 2060040-22-2
2060040-22-2 | 1-methyl-2-{7-oxabicyclo[4.1.0]heptan-1-yl}-1H-pyrrole
CAS No: 2060040-22-2 Catalog No: AG01BQCV MDL No:MFCD30501287
Product Description
Catalog Number:
AG01BQCV
Chemical Name:
1-methyl-2-{7-oxabicyclo[4.1.0]heptan-1-yl}-1H-pyrrole
CAS Number:
2060040-22-2
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD30501287
IUPAC Name:
1-methyl-2-(7-oxabicyclo[4.1.0]heptan-1-yl)pyrrole
InChI:
InChI=1S/C11H15NO/c1-12-8-4-5-9(12)11-7-3-2-6-10(11)13-11/h4-5,8,10H,2-3,6-7H2,1H3
InChI Key:
CGGIOUYIZRNPPL-UHFFFAOYSA-N
SMILES:
Cn1cccc1C12CCCCC2O1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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