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
3.3322 1.4442 1.3228 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9377 0.4098 0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4789 -0.8606 0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 -1.2279 0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1152 -0.4384 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0115 0.9073 0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1954 1.6126 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3004 0.9655 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2067 -0.3800 -0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0228 -1.0740 -0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2268 -1.6911 0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1684 -2.3195 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7994 1.4912 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2547 2.6762 0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2244 1.4990 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0885 -0.8756 -1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0591 -2.1386 -0.7663 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