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
4.3785 0.4752 2.2371 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2983 0.5577 1.8311 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9297 0.6372 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -0.2259 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1473 -0.1711 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7293 0.7946 0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0162 0.7757 -0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3840 -0.1753 -1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5020 -1.1523 -1.5645 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2478 -1.1156 -1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3631 1.4515 1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1669 -0.9912 0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4901 1.5714 1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6951 1.5447 0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3807 -0.1767 -1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7713 -1.9078 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4463 -1.8922 -1.3495 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