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
3.2169 1.4704 1.6004 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9182 0.5420 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5805 -0.5880 0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4446 -0.9721 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1363 -0.3688 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9687 -0.9939 -0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2303 -0.4629 -0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4582 0.7081 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3926 1.3123 0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 0.7899 0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4849 -1.2560 -0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4886 -1.9493 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7468 -1.9110 -1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0480 -1.0001 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4523 1.1146 -0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5740 2.2338 1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6915 1.3310 0.9808 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