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
4.8467 -0.6941 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4669 -1.0328 0.2001 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4720 -0.0772 0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8733 1.0718 0.7381 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 -0.3686 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1762 0.5781 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2668 0.3828 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8102 -0.8221 -0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1824 -0.9892 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0331 0.0749 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5158 1.2987 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1490 1.4180 0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9420 0.1987 1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3129 -0.4998 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3088 -1.6036 0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7800 -1.3608 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5198 1.5658 0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1928 -1.6860 -0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6230 -1.9319 -0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1006 -0.0544 -0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1660 2.1554 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7191 2.3764 0.7129 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