Monomers
2-Propenenitrile, 3-phenyl-
Identifiers
IUPAC name
3-phenylprop-2-enenitrile
InchI
InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H
InchI Key
ZWKNLRXFUTWSOY-UHFFFAOYSA-N
SMILES
N#CC=Cc1ccccc1
Canonical SMILES
C1=CC=C(C=C1)C=CC#N
Isomeric SMILES
C1=CC=C(C=C1)C=CC#N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H7N
Heavy Atom Count
10
Molecular Weight
129.162
Exact Molecular Weight
129.0578
Valence Electrons
48
Radical Electrons
0
tPSA
23.79
MolLogP
2.2234
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
3.6031 -0.4824 1.5794 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7535 -1.1451 1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7460 -1.9620 0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5708 -1.6769 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1347 -0.4242 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4305 -0.3745 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1217 0.8129 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5548 1.9845 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2869 1.9804 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4050 0.7603 0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0566 -3.0426 0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0333 -2.5463 -0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9179 -1.2990 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1261 0.7865 -0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1158 2.9056 -0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1964 2.8890 0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3905 0.8338 0.8897 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 3 0
2 3 1 0
3 4 2 3
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
3 11 1 0
4 12 1 0
6 13 1 0
7 14 1 0
8 15 1 0
9 16 1 0
10 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers