ACMC-20apjz

HCID 3690897CAS 22099-78-1

Basic information

Standard SMILES
O=C(O)CCCCCCC1=CC(O)CC1=O
InChIKey
IXOFUWJRSYPKSX-UHFFFAOYSA-N
Molecular formula
C12H18O4
Average molar mass
226.27 g/mol
Monoisotopic mass
226.12050906

Names & identifiers

Preferred name
ACMC-20apjz
IUPAC
7-(3-hydroxy-5-oxocyclopenten-1-yl)heptanoic acid

Names & synonyms

22099-78-1ACMC-20apjzDTXSID80395103RefChem:317036DTXCID403459627-(3-hydroxy-5-oxocyclopent-1-en-1-yl)heptanoic acid2-(6-carboxyhexyl)-4-hydroxycyclopent-2-en-1-oneSCHEMBL7621615IXOFUWJRSYPKSX-UHFFFAOYSA-NDB-0719293-hydroxy-5-oxocyclopent-1-eneheptanoic acid3(RS)-hydroxy-5-oxocyclopent-1-eneheptanoic acid
Show more names
7-(3-hydroxy-5-oxo-cyclopentenyl)-heptanoic acid2-(6-carboxyhexyl)-4-hydroxy-cyclopent-2-en-1-one4-hydroxy-2-(6-carboxyhexyl)-cyclopent-2-en-1-one4-hydroxy-2-(6-carboxyhexyl)cyclopent-2-en-1-one7-(3-Hydroxy-5-oxo-1-cyclopenten-1-yl)-heptanoic acid

Database identifiers

CAS
22099-78-1
PubChem CID
3690897
DTXSID
DTXSID80395103

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
16

Related reactions

57 records

Linked notes

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