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
1.9714 3.9949 2.2342 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4275 3.2163 1.5701 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7778 2.2486 0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 0.9642 1.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1290 -0.0640 0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1752 -1.3976 0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4251 -2.3997 -0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0908 -2.0624 -1.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1646 -0.7563 -1.7165 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5466 0.2180 -0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2796 2.5879 -0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2838 0.6593 1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6954 -1.6826 1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3776 -3.4388 0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5715 -2.8319 -1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6924 -0.4809 -2.6413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6358 1.2249 -1.3221 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