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
4.2908 -0.4205 2.4303 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3870 -0.3643 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2789 -0.2984 0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0610 -0.0206 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0387 0.0419 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2954 0.3458 0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3664 0.4142 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1988 0.1876 -1.4338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9738 -0.1125 -1.9821 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1177 -0.1809 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5085 -0.4889 -0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8814 0.1686 2.2497 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4328 0.5252 1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3290 0.6522 0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0774 0.2498 -2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8768 -0.2842 -3.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0639 -0.4151 -1.5404 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