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80838-84-2 | Methanone, bis(1-methyl-1H-pyrrol-2-yl)-
CAS No: 80838-84-2 Catalog No: AG0057WW MDL No:MFCD28246264
Product Description
Catalog Number:
AG0057WW
Chemical Name:
Methanone, bis(1-methyl-1H-pyrrol-2-yl)-
CAS Number:
80838-84-2
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD28246264
IUPAC Name:
bis(1-methylpyrrol-2-yl)methanone
InChI:
InChI=1S/C11H12N2O/c1-12-7-3-5-9(12)11(14)10-6-4-8-13(10)2/h3-8H,1-2H3
InChI Key:
HGUGSWFNSDWIDS-UHFFFAOYSA-N
SMILES:
Cn1cccc1C(=O)c1cccn1C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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