Compound C25H30O8

3,9-dihydroxy-6-oxo-7-(pentoxymethyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid

CAS: 73927-67-0

Molecular Formula	`C25H30O8`
Molecular Weight	458.5 g/mol
LogP	6.2
Topological Polar Surface Area	123.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	458.19406
Heavy Atoms	33
Complexity	640.0

Chemical Identifiers

CAS Number	73927-67-0
SMILES	`CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)COCCCCC)O)O)C(=O)O`
InChIKey	`KPZRCJGOBJJSNO-UHFFFAOYSA-N`

📖 Product Overview

Compound C25H30O8 (CAS: 73927-67-0) is a chemical compound with molecular formula C25H30O8 and molecular weight 458.5 g/mol. Its IUPAC systematic name is 3,9-dihydroxy-6-oxo-7-(pentoxymethyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid. LogP 6.2 Topological Polar Surface Area 123.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 11 Exact Mass 458.19406 Heavy Atoms 33 Complexity 640.0 InChI Key: KPZRCJGOBJJSNO-UHFFFAOYSA-N. SMILES: CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)COCCCCC)O)O)C(=O)O.

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