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Home > Other Heterocycles > 2059936-43-3
2059936-43-3 | 2-{3,5-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-1-methyl-1H-pyrrole
CAS No: 2059936-43-3 Catalog No: AG01BQCX MDL No:MFCD30501289
Product Description
Catalog Number:
AG01BQCX
Chemical Name:
2-{3,5-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-1-methyl-1H-pyrrole
CAS Number:
2059936-43-3
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD30501289
IUPAC Name:
2-(3,5-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-1-methylpyrrole
InChI:
InChI=1S/C13H19NO/c1-9-7-10(2)12-13(8-9,15-12)11-5-4-6-14(11)3/h4-6,9-10,12H,7-8H2,1-3H3
InChI Key:
ARFSYASBBOEMKL-UHFFFAOYSA-N
SMILES:
CC1CC(C)C2C(C1)(O2)c1cccn1C
Properties
Complexity:
267
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:
1
Topological Polar Surface Area:
17.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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