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
4.9031 -0.4341 0.4056 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8019 -0.0826 0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4046 0.3531 0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4981 -0.5448 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0822 -0.2456 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8537 -1.2501 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2031 -0.9791 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6222 0.3251 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7217 1.3326 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3545 1.0341 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1726 1.3912 0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7892 -1.5817 -0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5301 -2.2691 -0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8928 -1.7826 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6866 0.5106 -0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0576 2.3409 0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2705 1.8822 0.4251 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