Monomers
2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic Acid
Identifiers
IUPAC name
2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
InchI
InChI=1S/C14H14O6/c1-9(2)13(17)19-7-8-20-14(18)11-6-4-3-5-10(11)12(15)16/h3-6H,1,7-8H2,2H3,(H,15,16)
InchI Key
FIQBJLHOPOSODG-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCCOC(=O)c1ccccc1C(=O)O
Canonical SMILES
CC(=C)C(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O
Isomeric SMILES
CC(=C)C(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H14O6
Heavy Atom Count
20
Molecular Weight
278.26
Exact Molecular Weight
278.079
Valence Electrons
106
Radical Electrons
0
tPSA
89.9
MolLogP
1.6609
H Bond Acceptors
5
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
34 34 0 0 0 0 0 0 0 0999 V2000
5.9535 -0.7987 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9778 0.2899 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4105 1.4650 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5787 0.0364 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1253 -1.0715 -0.4114 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6750 1.0501 0.1605 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3003 1.0063 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6030 -0.0048 0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7736 -0.0618 0.6780 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4904 -0.3525 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7551 -0.6075 -1.4489 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9169 -0.4225 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3715 -0.7582 -1.9417 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7038 -0.8499 -2.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6060 -0.5998 -1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2011 -0.2743 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8501 -0.1778 0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5005 0.1728 1.6931 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4943 0.3700 2.4974 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2779 0.3339 2.2778 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3045 -0.7463 -1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5018 -1.8050 0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8152 -0.6264 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4396 1.6518 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7030 2.2588 0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1194 0.7142 -1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9097 2.0454 0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8018 0.1658 1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0159 -1.0022 0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6166 -0.9467 -2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0048 -1.1115 -3.2602 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6598 -0.6701 -1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9338 -0.0814 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0787 1.1807 2.8026 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
18 20 1 0
17 12 1 0
1 21 1 0
1 22 1 0
1 23 1 0
3 24 1 0
3 25 1 0
7 26 1 0
7 27 1 0
8 28 1 0
8 29 1 0
13 30 1 0
14 31 1 0
15 32 1 0
16 33 1 0
20 34 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers