3-Hydroxy-7-octenoic acid

HCID 129243CAS 120676-01-9
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCCCC(O)CC(=O)O
InChIKey
QYQFJLBAOZQKQU-UHFFFAOYSA-N
Molecular formula
C8H14O3
Average molar mass
158.19 g/mol
Monoisotopic mass
158.09429431

Overview

structure given in first source

Names & identifiers

Preferred name
3-Hydroxy-7-octenoic acid
IUPAC
3-hydroxyoct-7-enoic acid
English name
3-hydroxy-7-octenoic acid
Molecular formula
C8H14O3
Molecular weight
158.2

Names & synonyms

3-Hydroxy-7-octenoic acid120676-01-93-HxoaRefChem:942133-hydroxyoct-7-enoic acid3-hydroxy-7 -octenoic acidSCHEMBL6683897-Octenoic acid, 3-hydroxy-DTXSID70923515QYQFJLBAOZQKQU-UHFFFAOYSA-N

Database identifiers

CAS
120676-01-9
PubChem CID
129243
DTXSID
DTXSID70923515

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
11

Physicochemical properties

Boiling point
310.6 · 310.6±42.0 °C(Predicted)
Density
1.067 · 1.067±0.06 g/cm3(Predicted)
pka
4.37 · 4.37±0.10(Predicted)

Chemistry & industry

Suppliers1 total

济南思考化学有限公司0531-0000 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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