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
3.5626 0.2214 -1.5468 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0954 0.1513 -0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5497 0.0659 0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3241 0.0185 1.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0983 0.0352 0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1437 -0.0276 1.1001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3399 -0.0160 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3740 0.0612 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1926 0.1260 -1.6173 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0147 0.1112 -0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3210 0.0356 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1861 -0.0479 2.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1448 -0.0887 2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2980 -0.0663 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3377 0.0697 -1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2075 0.1871 -2.6962 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8861 0.1645 -1.5303 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