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
1.7193 2.1694 -3.5422 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5320 1.9382 -2.5266 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2880 1.6605 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0461 1.3785 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2034 0.1614 0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1053 -0.3561 1.5796 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7116 -1.3597 1.8673 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5545 -1.9830 0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4685 -1.4788 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6218 -0.4633 -0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9342 2.8723 -0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 1.8994 0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7776 0.1333 2.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7509 -1.7752 2.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2411 -2.7744 1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1074 -1.9547 -1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5386 -0.0678 -1.6544 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