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Home > Other Heterocycles > 2059988-97-3
2059988-97-3 | 1-methyl-2-[4-(2-methylbutan-2-yl)-7-oxabicyclo[4.1.0]heptan-1-yl]-1H-pyrrole
CAS No: 2059988-97-3 Catalog No: AG01BQCT MDL No:MFCD30501285
Product Description
Catalog Number:
AG01BQCT
Chemical Name:
1-methyl-2-[4-(2-methylbutan-2-yl)-7-oxabicyclo[4.1.0]heptan-1-yl]-1H-pyrrole
CAS Number:
2059988-97-3
Molecular Formula:
C16H25NO
Molecular Weight:
247.3758
MDL Number:
MFCD30501285
IUPAC Name:
1-methyl-2-[4-(2-methylbutan-2-yl)-7-oxabicyclo[4.1.0]heptan-1-yl]pyrrole
InChI:
InChI=1S/C16H25NO/c1-5-15(2,3)12-8-9-16(14(11-12)18-16)13-7-6-10-17(13)4/h6-7,10,12,14H,5,8-9,11H2,1-4H3
InChI Key:
LJGMZFZENNDXLA-UHFFFAOYSA-N
SMILES:
CCC(C1CCC2(C(C1)O2)c1cccn1C)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.382g/mol
Monoisotopic Mass:
247.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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