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
3.0025 2.3779 -0.1364 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8662 2.4434 -0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5123 2.5028 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3702 1.5834 -0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3146 0.2556 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4734 -0.5489 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4774 -1.8213 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3575 -2.3900 0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7817 -1.6259 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 -0.3405 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1708 3.4580 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3865 1.8814 -1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3797 -0.1261 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3829 -2.4190 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3657 -3.3881 1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6955 -2.0359 1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6951 0.1931 0.4195 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