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
2.7540 -3.9371 -0.9456 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9588 -3.0038 -1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9747 -1.8098 -1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8260 -1.1067 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1695 0.0764 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3206 1.1374 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0872 2.1059 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4307 2.0259 1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9579 0.9700 1.8572 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1881 0.0339 1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5974 -1.9071 -2.6054 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5018 -1.4943 0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1462 1.1300 -1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5066 2.9480 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0358 2.7967 1.5704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2772 0.8205 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1685 -0.7859 1.9063 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