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
4.9287 0.3090 -0.4917 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8277 -0.0079 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4527 -0.3801 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4823 0.4970 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0874 0.2050 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3830 -0.9917 0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7441 -1.2422 0.6757 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6488 -0.2330 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2015 0.9838 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8553 1.1959 -0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2602 -1.3842 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7654 1.4867 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3084 -1.7928 0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0762 -2.2152 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7225 -0.3834 0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9298 1.7840 -0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5518 2.1692 -0.6064 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