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Molecule
Glutaric Acid
CAS: 110-94-1 · C5H8O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-94-1
- Molecular Formula
- C5H8O4
- Molecular Mass
- 132.11 g/mol
Identifiers
CAS Registry Number
110-94-1
SMILES
O=C(O)CCCC(=O)O
InChI Key
JFCQEDHGNNZCLN-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
Names and Synonyms
- Glutaric Acid Synonym
- Pentanedioic acid Synonym
- Glutaric acid Synonym
- 1,5-Pentanedioic acid Synonym
- 1,3-Propanedicarboxylic acid Synonym
- NSC 9238 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.11 g/mol | CAS Common Chemistry |
| 132.115 g/mol | RDKit | |
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.429 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glutaric_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=JFCQEDHGNNZCLN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 97.5-98 °C | CAS Common Chemistry |
| Name | Glutaric acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | 0.32590000000000025 | RDKit |
| 0.3259 | RDKit | |
| Molar Refractivity | 29.12259999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 132.042258736 g/mol | RDKit |
| Boiling Point | 200 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 132.11 g/mol; density = 1.430 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8O4.
