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
-3.7806 0.8033 0.2601 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8632 1.1511 -0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7726 1.5896 -1.1896 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5570 1.2371 -1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1172 0.2739 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5022 0.0516 -0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2314 -0.8339 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6211 -1.5779 1.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2755 -1.3853 1.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4754 -0.4783 0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0771 2.3731 -1.9427 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1103 1.7527 -1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9888 0.6336 -1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2942 -0.9652 0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1581 -2.2911 1.8292 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2494 -1.9597 2.1862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5234 -0.3744 0.8539 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