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26288-62-0 | 1H-Pyrrole, 2-methyl-3-phenyl-
CAS No: 26288-62-0 Catalog No: AG002SM0 MDL No:
Product Description
Catalog Number:
AG002SM0
Chemical Name:
1H-Pyrrole, 2-methyl-3-phenyl-
CAS Number:
26288-62-0
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
IUPAC Name:
2-methyl-3-phenyl-1H-pyrrole
InChI:
InChI=1S/C11H11N/c1-9-11(7-8-12-9)10-5-3-2-4-6-10/h2-8,12H,1H3
InChI Key:
ITWGCQMRMZGUNF-UHFFFAOYSA-N
SMILES:
Cc1[nH]ccc1c1ccccc1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.216g/mol
Monoisotopic Mass:
157.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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