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137440-88-1 | 1H-Pyrrole, 2-phenyl-1-(1,2-propadien-1-yl)-
CAS No: 137440-88-1 Catalog No: AG0013A9 MDL No:
Product Description
Catalog Number:
AG0013A9
Chemical Name:
1H-Pyrrole, 2-phenyl-1-(1,2-propadien-1-yl)-
CAS Number:
137440-88-1
Molecular Formula:
C13H11N
Molecular Weight:
181.2331
IUPAC Name:
2-phenyl-1-propa-1,2-dienylpyrrole
InChI:
InChI=1S/C13H11N/c1-2-10-14-11-6-9-13(14)12-7-4-3-5-8-12/h3-11H,1H2
InChI Key:
NOAXHTWOQRQGPV-UHFFFAOYSA-N
SMILES:
C=C=Cn1cccc1c1ccccc1
Properties
Complexity:
221
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.238g/mol
Monoisotopic Mass:
181.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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