Monomers
Phenyl 4-(acryloyloxy)benzoate
Identifiers
IUPAC name
phenyl 4-prop-2-enoyloxybenzoate
InchI
InChI=1S/C16H12O4/c1-2-15(17)19-14-10-8-12(9-11-14)16(18)20-13-6-4-3-5-7-13/h2-11H,1H2
InchI Key
SNLMOIAMOXTSGA-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)Oc1ccccc1
Canonical SMILES
C=CC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Isomeric SMILES
C=CC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C16H12O4
Heavy Atom Count
20
Molecular Weight
268.268
Exact Molecular Weight
268.0736
Valence Electrons
100
Radical Electrons
0
tPSA
52.6
MolLogP
2.9972
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
32 33 0 0 0 0 0 0 0 0999 V2000
4.7193 -0.2608 -5.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5899 0.3175 -5.4644 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5080 0.3767 -4.4997 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3859 0.9140 -4.7413 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6609 -0.1638 -3.2453 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7762 -0.2123 -2.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9415 -1.3019 -2.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0508 -1.3418 -1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0337 -0.3208 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7947 0.7571 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6976 0.8180 -1.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9684 -0.4283 1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6666 -1.4666 1.1058 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1202 0.5540 1.9612 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0200 0.4175 3.0399 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0578 1.3159 3.1493 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9549 1.1907 4.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8216 0.1723 5.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7873 -0.6965 5.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9008 -0.5707 3.9763 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5730 -0.3456 -5.8060 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8873 -0.7191 -4.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4603 0.7409 -6.4335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0198 -2.0893 -2.7972 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5832 -2.1966 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7041 1.5455 0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3249 1.7143 -1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2395 2.1411 2.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7772 1.8582 4.3332 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4927 0.0667 5.9800 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5954 -1.5320 5.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0749 -1.2546 3.8467 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
9 12 1 0
12 13 2 0
12 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
11 6 1 0
20 15 1 0
1 21 1 0
1 22 1 0
2 23 1 0
7 24 1 0
8 25 1 0
10 26 1 0
11 27 1 0
16 28 1 0
17 29 1 0
18 30 1 0
19 31 1 0
20 32 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers