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
4.1975 -2.6002 0.5480 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3618 -1.8135 0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2926 -0.8372 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0351 -1.1873 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0437 -0.2610 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1761 1.0826 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9018 1.9540 -0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2016 1.5214 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4038 0.1675 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3734 -0.7220 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6341 0.1797 0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8309 -2.2654 0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1927 1.5075 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7194 3.0185 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0505 2.2039 -0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4481 -0.1635 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5786 -1.7850 0.1736 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