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Home > Other Heterocycles > 2060061-31-4
2060061-31-4 | 1-methyl-2-{4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl}-1H-pyrrole
CAS No: 2060061-31-4 Catalog No: AG01BQCU MDL No:MFCD30501286
Product Description
Catalog Number:
AG01BQCU
Chemical Name:
1-methyl-2-{4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl}-1H-pyrrole
CAS Number:
2060061-31-4
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD30501286
IUPAC Name:
1-methyl-2-(4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl)pyrrole
InChI:
InChI=1S/C12H17NO/c1-9-5-6-12(11(8-9)14-12)10-4-3-7-13(10)2/h3-4,7,9,11H,5-6,8H2,1-2H3
InChI Key:
ZXNPLAOMKMTFTO-UHFFFAOYSA-N
SMILES:
CC1CCC2(C(C1)O2)c1cccn1C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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