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
0.6365 -4.0033 2.8703 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5888 -2.9589 2.3772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5434 -1.6538 1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0248 -1.4683 0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1195 -0.2208 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4232 0.9414 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3619 2.1661 -0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2714 2.2244 -1.4543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8276 1.0744 -2.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7543 -0.1366 -1.3714 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0146 -0.8669 2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4695 -2.3583 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9238 0.9141 1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7974 3.0682 0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3272 3.1770 -1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3208 1.1415 -2.9826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1744 -1.0402 -1.7847 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