Stipitatic acid

5,6-dihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid

CAS: 4440-39-5

Molecular Formula	`C8H6O5`
Molecular Weight	182.13 g/mol
LogP	-0.4
Topological Polar Surface Area	94.8 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	182.02153
Heavy Atoms	13
Complexity	359.0

Chemical Identifiers

CAS Number	4440-39-5
SMILES	`C1=C(C=C(C(=CC1=O)O)O)C(=O)O`
InChIKey	`ZGKNMKBZOSTFCB-UHFFFAOYSA-N`

📖 Product Overview

Stipitatic acid (CAS: 4440-39-5) is a chemical compound with molecular formula C8H6O5 and molecular weight 182.13 g/mol. Its IUPAC systematic name is 5,6-dihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid. LogP -0.4 Topological Polar Surface Area 94.8 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 182.02153 Heavy Atoms 13 Complexity 359.0 InChI Key: ZGKNMKBZOSTFCB-UHFFFAOYSA-N. SMILES: C1=C(C=C(C(=CC1=O)O)O)C(=O)O.

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