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87388-23-6 | 1H-Pyrrole-3-carbonitrile, 4-[2-(2-propenyloxy)phenyl]-
CAS No: 87388-23-6 Catalog No: AG004K3L MDL No:
Product Description
Catalog Number:
AG004K3L
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-[2-(2-propenyloxy)phenyl]-
CAS Number:
87388-23-6
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
4-(2-prop-2-enoxyphenyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C14H12N2O/c1-2-7-17-14-6-4-3-5-12(14)13-10-16-9-11(13)8-15/h2-6,9-10,16H,1,7H2
InChI Key:
FBZAFXWTXSPMEX-UHFFFAOYSA-N
SMILES:
C=CCOc1ccccc1c1c[nH]cc1C#N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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