4-Oxoundecanoic acid

HCID 5282985
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
22847-06-9
Standard SMILES
CCCCCCCC(=O)CCC(=O)O
InChIKey
KBWRWCSRYCKEOR-UHFFFAOYSA-N
Molecular formula
C11H20O3
Average molar mass
200.27 g/mol
Monoisotopic mass
200.1412445

Names & identifiers

Preferred name
4-Oxoundecanoic acid
IUPAC
4-oxoundecanoic acid
English name
4-Ketoundecanoicacid
Molecular formula
C11H20O3
Molecular weight
200.27

Names & synonyms

4-oxoundecanoic acid22847-06-93-capryl propionic acid4-oxo-undecanoic acidUndecanoic acid, 4-oxo-MFCD013185924-KETOUNDECANOIC ACIDSCHEMBL5188221DTXSID40945542CHEBI:180328KBWRWCSRYCKEOR-UHFFFAOYSA-NLMFA01060035
Show more names
4-Ketoundecanoicacid
AKOS010910030F74722

Database identifiers

CAS
22847-06-9
PubChem CID
5282985
DTXSID
DTXSID40945542
ChEBI
CHEBI:180328
Nikkaji
J206.121J

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
9
Heavy atoms
14

Physicochemical properties

Melting point
77 °C · 77 °C
Boiling point
160 · 160-164 °C(Press: 1.5 Torr)
Density
0.992 · 0.992±0.06 g/cm3(Predicted)
pka
4.78 · 4.78±0.17(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers7 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Additional notes

DefinitionChEBI: 3-capryl propionic acid is an oxo carboxylic acid.

Related reactions

5 records
New reaction record

Compound notes

Loading…