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
1.9623 -3.3145 -0.1685 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0249 -2.8429 -0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0988 -2.2745 -1.3699 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6555 -1.1176 -1.2201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2942 -0.0605 -0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8014 -0.0326 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0396 1.0363 1.3446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2084 2.1229 1.4125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8958 2.1113 0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1506 1.0569 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5614 -2.9718 -2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5308 -0.9250 -1.8962 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5065 -0.8367 0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9090 1.0752 2.0132 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3677 2.9659 2.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6039 2.9566 0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0289 1.0510 -0.9091 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