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
2.5768 1.5979 2.2455 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2024 0.5261 1.9897 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7532 -0.7865 1.6963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8557 -1.1898 0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0198 -0.4511 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8871 -1.1648 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6781 -0.4555 -1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6177 0.9150 -1.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7473 1.6301 -1.0764 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0657 0.9149 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 -1.6360 2.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7085 -2.3174 0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9304 -2.2391 -0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3775 -1.0487 -2.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2498 1.4509 -2.5316 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6617 2.7255 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7318 1.5283 0.3908 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