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
-1.0580 3.7707 3.1527 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6836 2.9931 2.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2648 2.0843 1.3325 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6326 0.8371 1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1700 -0.0772 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5809 -1.3978 0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1929 -2.3196 -0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6660 -1.9176 -1.7851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0925 -0.6239 -1.7903 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6926 0.3092 -0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4596 2.4266 0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3420 0.4607 1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2626 -1.6840 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5634 -3.3339 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0077 -2.6012 -2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7679 -0.2474 -2.5649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0644 1.3210 -0.8763 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