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
3.3419 0.7536 -1.8923 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0032 0.4540 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6181 0.0927 0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4693 -0.1346 1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1404 -0.0952 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9876 -0.3868 1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2519 -0.3562 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4941 -0.0442 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4113 0.2448 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1198 0.2147 -0.8908 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4849 -0.0148 1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4803 -0.4074 2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8045 -0.6341 2.2505 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0890 -0.5920 1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5087 -0.0364 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5732 0.4937 -2.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7018 0.4481 -1.5465 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