1-(3,4-Dimethylphenyl)-1h-pyrrole - CAS 383137-51-7
Catalog: |
BB067383 |
Product Name: |
1-(3,4-Dimethylphenyl)-1h-pyrrole |
CAS: |
383137-51-7 |
Synonyms: |
1-(3,4-dimethylphenyl)-1H-pyrrole; 1-(3,4-dimethylphenyl)pyrrole |
IUPAC Name: | 1-(3,4-dimethylphenyl)pyrrole |
Description: | 1-(3,4-Dimethylphenyl)-1h-pyrrole |
Molecular Weight: | 171.24 |
Molecular Formula: | C12H13N |
Canonical SMILES: | CC1=C(C=C(C=C1)N2C=CC=C2)C |
InChI: | InChI=1S/C12H13N/c1-10-5-6-12(9-11(10)2)13-7-3-4-8-13/h3-9H,1-2H3 |
InChI Key: | VCLKRNGEWADHGI-UHFFFAOYSA-N |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.104799419 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 4.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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