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Home > Other Heterocycles > 2060028-97-7
2060028-97-7 | 1-methyl-2-[4-(propan-2-yl)-7-oxabicyclo[4.1.0]heptan-1-yl]-1H-pyrrole
CAS No: 2060028-97-7 Catalog No: AG01BQCY MDL No:MFCD30501290
Product Description
Catalog Number:
AG01BQCY
Chemical Name:
1-methyl-2-[4-(propan-2-yl)-7-oxabicyclo[4.1.0]heptan-1-yl]-1H-pyrrole
CAS Number:
2060028-97-7
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
MDL Number:
MFCD30501290
IUPAC Name:
1-methyl-2-(4-propan-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl)pyrrole
InChI:
InChI=1S/C14H21NO/c1-10(2)11-6-7-14(13(9-11)16-14)12-5-4-8-15(12)3/h4-5,8,10-11,13H,6-7,9H2,1-3H3
InChI Key:
QEHFGXDWFUVIMH-UHFFFAOYSA-N
SMILES:
CC(C1CCC2(C(C1)O2)c1cccn1C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.328g/mol
Monoisotopic Mass:
219.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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