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15898-23-4 | 1H-Pyrrole, 1-(2,6-dimethylphenyl)-
CAS No: 15898-23-4 Catalog No: AG001R2R MDL No:
Product Description
Catalog Number:
AG001R2R
Chemical Name:
1H-Pyrrole, 1-(2,6-dimethylphenyl)-
CAS Number:
15898-23-4
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
IUPAC Name:
1-(2,6-dimethylphenyl)pyrrole
InChI:
InChI=1S/C12H13N/c1-10-6-5-7-11(2)12(10)13-8-3-4-9-13/h3-9H,1-2H3
InChI Key:
BRHOVWCDYRJKAW-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1n1cccc1)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.243g/mol
Monoisotopic Mass:
171.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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