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
3.0754 2.2082 -0.7730 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5508 1.2732 -1.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9361 0.1468 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8904 -0.5175 -1.4588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0205 -0.2863 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1497 0.7112 0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7575 0.8382 1.6658 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8061 -0.0347 1.8014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9699 -1.0527 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0698 -1.1436 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4807 -0.2072 -2.7462 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6263 -1.4016 -2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9566 1.4075 0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6116 1.6330 2.3658 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4820 0.0994 2.6324 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7946 -1.7315 0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1952 -1.9424 -0.8570 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