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
3.1014 2.0103 -1.1927 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8692 0.9173 -0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6148 -0.3973 -0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5066 -0.9366 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1763 -0.3901 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8695 -1.2208 0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1577 -0.7801 0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4929 0.5173 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4772 1.3371 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1788 0.9041 -0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5155 -1.0712 -0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6083 -2.0190 0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6094 -2.2599 0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9166 -1.4625 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5145 0.8779 0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7391 2.3750 -0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5633 1.5985 -0.5640 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