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Lactic Acid

CAS: 50-21-5 | C3H6O3

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 50-21-5
Molecular Formula: C3H6O3
Molecular Weight: 90.07799999999999 g/mol

Names and Synonyms:

Lactic Acid Common Name
Lactate Synonym
Rac-lactic acid Synonym
Purac HS 50 Synonym
Purac 60 Synonym
Purac 55 Synonym
Masashino Lactic acid 90F Synonym
Musashino lactate 50F Synonym
Kiwilustre Synonym
(RS)-2-Hydroxypropanoic acid Synonym
Purac HS 100 Synonym
Purac HS 88 Synonym
Lurex Synonym
HiPure 88 Synonym
Purac FCC 80 Synonym
NSC 367919 Synonym
E 270 Synonym
2-Hydroxy-2-methylacetic acid Synonym
Purac FCC 88 Synonym
dl-Lactic acid Synonym
(±)-Lactic acid Synonym
Tonsillosan Synonym
DL-Lactic acid Synonym
Biolac Synonym
Chem-Cast Synonym
α-Hydroxypropanoic acid Synonym
Milk acid Synonym
2-Hydroxypropionic acid Synonym
α-Hydroxypropionic acid Synonym
2-Hydroxypropanoic acid Synonym
Lactic acid Synonym
Propanoic acid, 2-hydroxy- Synonym

Identifiers:

SMILES:
CC(O)C(=O)O
InChI:
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Failed to fetch

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 90.08 g/mol Legacy Database
density 1.25 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Lactic_acid None Legacy Database
cas-boiling-point 122 °C @ Press: 14-15 Torr None Legacy Database
cas-canonical-smile O=C(O)C(O)C None Legacy Database
cas-density 1.249 g/cm3 @ Temp: 15 °C None Legacy Database
cas-inchi InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) None Legacy Database
cas-inchi-key InChIKey=JVTAAEKCZFNVCJ-UHFFFAOYSA-N None Legacy Database
cas-melting-point 16.8 °C None Legacy Database
cas-name Lactic acid None Legacy Database
wikipedia-name Lactic acid None Legacy Database
LogP -0.5482 RDKit

Molecular

Property Value Source
Molecular Weight 90.07799999999999 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 90.031694052 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 6 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 57.53 Ų RDKit

Molar

Property Value Source
Molar Refractivity 19.3166 RDKit

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