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
2.9518 2.1621 1.1429 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7375 1.0265 1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4993 -0.3627 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4408 -0.9576 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1886 -0.3897 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1634 0.9331 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4282 1.3675 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3686 0.4522 -0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0749 -0.8924 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8407 -1.2712 -0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4000 -1.0102 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5258 -2.0779 0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5613 1.6688 0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6135 2.4365 -0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3267 0.8251 -1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8618 -1.5651 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6272 -2.3451 -0.3494 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