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
4.8394 -0.6803 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4730 -1.0406 0.0488 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4684 -0.0893 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8412 1.1076 -0.1368 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0561 -0.4204 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1684 0.5380 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2755 0.3685 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1222 1.4655 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4924 1.3384 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0636 0.0839 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2216 -0.9978 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8245 -0.8847 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3179 -1.1570 0.9227 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9756 0.4226 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3747 -0.9900 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7354 -1.4400 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5452 1.5803 -0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6627 2.4459 -0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1386 2.2138 -0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1231 -0.0937 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6533 -1.9881 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2179 -1.7828 0.0313 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