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
3.0821 -2.2709 0.7358 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8633 -1.2410 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6205 0.0181 -0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5514 0.7041 -0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1940 0.3506 -0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1814 -0.8169 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5269 -1.0540 0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5299 -0.1728 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1613 0.9989 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8466 1.2541 -0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5726 0.5354 -0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6512 1.7048 -1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5528 -1.5443 0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7513 -1.9933 1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5762 -0.3599 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9425 1.7073 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5717 2.1799 -0.9974 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