CAS 827-60-1 | 1H-Pyrrole,1-(4-methylphenyl)- | CAS Number 827-60-1

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827-60-1 | 1H-Pyrrole,1-(4-methylphenyl)-

CAS No: 827-60-1 Catalog No: AG00571V MDL No:MFCD00799565

Product Description

Catalog Number:

AG00571V

Chemical Name:

1H-Pyrrole,1-(4-methylphenyl)-

CAS Number:

827-60-1

Molecular Formula:

C11H11N

Molecular Weight:

157.2117

MDL Number:

MFCD00799565

IUPAC Name:

1-(4-methylphenyl)pyrrole

InChI:

InChI=1S/C11H11N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-9H,1H3

InChI Key:

VYUNLDVEMSMJNP-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)n1cccc1

Properties

Complexity:

130

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

157.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

157.216g/mol

Monoisotopic Mass:

157.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

4.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Singlet excited state dipole moments of dual fluorescent N-phenylpyrroles and 4-(dimethylamino)benzonitrile from solvatochromic and thermochromic spectral shifts.	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20030301