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
4.7360 1.4335 -0.5214 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7059 0.8854 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4468 0.2245 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3171 0.8758 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0302 0.2340 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0869 1.0273 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3405 0.4835 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5372 -0.8877 0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4084 -1.6611 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1448 -1.1105 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4727 -0.8543 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3886 1.9602 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0170 2.1255 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2362 1.0866 0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5277 -1.2987 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4977 -2.7397 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6989 -1.7841 0.0392 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