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
2.7979 -0.0463 -2.6789 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6834 -0.3095 -1.5561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5672 -0.6378 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5627 -0.5805 0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2111 -0.1520 0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 0.2918 -0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5960 0.7013 -1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4581 0.6516 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0234 0.2141 1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7227 -0.1800 1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5378 -1.0205 0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 -0.9107 1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 0.3345 -1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8971 1.0381 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4869 0.9610 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7150 0.1772 2.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3565 -0.5324 2.3991 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