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Adipic Acid
CAS: 124-04-9 | C6H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-04-9
Molecular Formula:
C6H10O4
Molecular Mass:
146.14 g/mol
Names and Synonyms:
Adipic Acid
Hexanedioic acid
Adipic acid
Adipinic acid
1,4-Butanedicarboxylic acid
1,6-Hexanedioic acid
Acifloctin
Acinetten
Adilactetten
Asapic
Inipol DS
E 355
NSC 7622
NSC 87836
Rhodiacid AA
Edenol 1208
Identifiers:
SMILES:
O=C(O)CCCCC(=O)O
InChI:
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
Key Properties
Boiling Point
338 °C
CAS Common Chemistry
Melting Point
152 °C
CAS Common Chemistry
Density
1.36 g/cm³
CAS Common Chemistry
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 | 146.14 g/mol | CAS Common Chemistry |
| 146.14200000000002 g/mol | RDKit | |
| 146.0579088 g/mol | RDKit | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.360 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Adipic_acid | CAS Common Chemistry |
| Boiling Point | 338 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=WNLRTRBMVRJNCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152 °C | CAS Common Chemistry |
| Name | Adipic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | 0.716 | RDKit |
| Molar Refractivity | 33.73959999999999 | RDKit |
