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
1.1311 2.6213 4.0604 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8100 1.8565 3.2386 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3981 0.9060 2.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4955 1.1436 0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1019 0.2363 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2378 0.5645 -1.4442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1237 -0.2682 -2.4752 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6507 -1.4982 -2.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8140 -1.8897 -0.8264 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4288 -1.0016 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0188 2.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9160 2.1243 0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6535 1.5341 -1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0129 -0.0012 -3.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9357 -2.1546 -2.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2216 -2.8409 -0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5588 -1.3135 1.2076 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