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4-Hydroxybutyl Acrylate
CAS: 2478-10-6 | C7H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2478-10-6
Molecular Formula:
C7H12O3
Molecular Mass:
144.17 g/mol
Names and Synonyms:
4-Hydroxybutyl Acrylate
2-Propenoic acid, 4-hydroxybutyl ester
Acrylic acid, 4-hydroxybutyl ester
1,4-Butanediol, monoacrylate
4-Hydroxybutyl acrylate
Butanediol monoacrylate
Tetramethylene glycol monoacrylate
1,4-Butanediol acrylate
4HBA
Hydroxybutyl acrylate
Laromer BDMA
Viscoat 4HBA
4-Hydroxybutyl propenoate
EM 172
A 1390
Identifiers:
SMILES:
C=CC(=O)OCCCCO
InChI:
InChI=1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.17 g/mol | CAS Common Chemistry |
| 144.17000000000002 g/mol | RDKit | |
| 144.078644244 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCCCO)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NDWUBGAGUCISDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Hydroxybutyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 0.4880999999999999 | RDKit |
| Molar Refractivity | 37.4758 | RDKit |
