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Home > Other Heterocycles > 2060029-14-1
2060029-14-1 | 2-{4-ethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-1-methyl-1H-pyrrole
CAS No: 2060029-14-1 Catalog No: AG01BQCW MDL No:MFCD30501288
Product Description
Catalog Number:
AG01BQCW
Chemical Name:
2-{4-ethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-1-methyl-1H-pyrrole
CAS Number:
2060029-14-1
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD30501288
IUPAC Name:
2-(4-ethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-1-methylpyrrole
InChI:
InChI=1S/C13H19NO/c1-3-10-6-7-13(12(9-10)15-13)11-5-4-8-14(11)2/h4-5,8,10,12H,3,6-7,9H2,1-2H3
InChI Key:
OGEARAHUUZDOAX-UHFFFAOYSA-N
SMILES:
CCC1CCC2(C(C1)O2)c1cccn1C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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