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
0.2986 2.5726 -2.8205 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4853 1.4168 -2.6802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7121 0.0535 -2.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5820 -0.7274 -1.5434 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1342 -0.3801 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0622 -1.4192 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3563 -1.1394 2.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7196 0.1304 2.4377 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6600 1.1514 1.5252 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2309 0.8584 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0839 -0.4720 -3.4821 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8429 -1.8326 -1.6986 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3466 -2.4172 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4130 -1.9420 2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0401 0.2945 3.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9259 2.1611 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2021 1.6913 -0.4547 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