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
4.7426 1.4977 0.3073 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6243 1.2775 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2359 0.9859 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4955 0.2480 0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1111 -0.0873 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 0.3626 -0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9022 0.0128 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5810 -0.7778 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9034 -1.2243 1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5856 -0.8720 1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8987 1.4380 -1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9651 -0.1430 1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0377 0.9850 -1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3724 0.4054 -1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6090 -1.0081 -0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4278 -1.8459 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0870 -1.2544 2.0858 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