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
2.7791 4.1290 0.1027 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9515 3.3078 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9587 2.2901 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1741 1.0533 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2378 -0.0402 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5473 -1.3273 0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3343 -2.3718 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5770 -2.1908 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8986 -0.9167 -0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0079 0.1562 -0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0220 2.5707 -0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1478 0.8206 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5459 -1.4656 0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0594 -3.3850 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2736 -3.0189 -0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8775 -0.7478 -1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3357 1.1366 -0.9313 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