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
1.9317 1.4094 3.0169 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1360 1.8209 2.2709 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1752 2.3069 1.3527 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3958 1.7092 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2668 0.3604 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0067 -0.0422 -1.2519 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9035 -1.3315 -1.7692 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0564 -2.2333 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6849 -1.8772 -0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5619 -0.5712 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1603 3.3852 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1482 2.3094 -0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6726 0.6156 -1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4809 -1.6328 -2.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0652 -3.2524 -1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3640 -2.5929 0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1723 -0.3837 1.2722 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