21-Docosenoic acid

HCID 4434004

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 53821-23-1
Standard SMILES: C=CCCCCCCCCCCCCCCCCCCCC(=O)O
InChIKey: APBCNLYLPJQPGB-UHFFFAOYSA-N
Molecular formula: C22H42O2
Average molar mass: 338.6 g/mol
Monoisotopic mass: 338.31848058

Names & identifiers

Preferred name: 21-Docosenoic acid
IUPAC: docos-21-enoic acid
English name: 21-Docosenoic acid
Molecular formula: C22H42O2
Molecular weight: 338.57

Names & synonyms

21-Docosenoic acid53821-23-1DTXSID50403249RefChem:267453DTXCID70354103Docos-21-enoic AcidDocos-21-enoicAcidSCHEMBL3124997APBCNLYLPJQPGB-UHFFFAOYSA-NMFCD00154318AKOS024339710SY460071

Database identifiers

CAS: 53821-23-1
PubChem CID: 4434004
DTXSID: DTXSID50403249
Nikkaji: J107.532B

Properties

Computed structural properties

XLogP: 9.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 20
Heavy atoms: 24
Formal charge: 0
Complexity: 273

Chemistry & industry

Suppliers2 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

SIGMAALDRICH—

Related reactions

4 records

New reaction record

HRID 190102As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 544416As reactantuspto-grants-1984_05

HRID 828416As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 2416980As reactantuspto-grants-2004_11

Compound notes

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