Monomers
2-Propenoic acid, 3-phenyl-, methyl ester
Identifiers
IUPAC name
methyl 3-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
InchI Key
CCRCUPLGCSFEDV-UHFFFAOYSA-N
SMILES
COC(=O)C=Cc1ccccc1
Canonical SMILES
COC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
COC(=O)C=CC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
1.8728
H Bond Acceptors
2
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
22 22 0 0 0 0 0 0 0 0999 V2000
4.5898 0.3266 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1766 0.2694 -0.0609 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4858 -0.7770 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1059 -1.7533 0.9615 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0050 -0.8333 0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 0.1545 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1761 0.1420 0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8877 1.2287 -0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2514 1.3145 -0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9679 0.2576 0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3035 -0.8272 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9168 -0.8817 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0198 0.7195 0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0202 -0.6961 -0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9539 0.9697 -0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -1.6758 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7842 1.0110 -0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2990 2.0466 -0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7792 2.1613 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0596 0.2699 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8660 -1.6608 1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4233 -1.7661 1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 7 1 0
1 13 1 0
1 14 1 0
1 15 1 0
5 16 1 0
6 17 1 0
8 18 1 0
9 19 1 0
10 20 1 0
11 21 1 0
12 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers