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13713-07-0 | 1H-Pyrrole, 2-(1-methylethyl)-5-phenyl-
CAS No: 13713-07-0 Catalog No: AG0012V8 MDL No:
Product Description
Catalog Number:
AG0012V8
Chemical Name:
1H-Pyrrole, 2-(1-methylethyl)-5-phenyl-
CAS Number:
13713-07-0
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
2-phenyl-5-propan-2-yl-1H-pyrrole
InChI:
InChI=1S/C13H15N/c1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11/h3-10,14H,1-2H3
InChI Key:
VWHNHZCURHSPOX-UHFFFAOYSA-N
SMILES:
CC(c1ccc([nH]1)c1ccccc1)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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