3-Methylbut-2-en-1-yl 3,4,5-trihydroxybenzoate

3-Methylbut-2-en-1-yl 3,4,5-trihydroxybenzoate
Compound Structure:
Synonyms: 3-methylbut-2-en-1-yl 3,4,5-trihydroxybenzoate
Compound ID: NMPC-366
PubChem ID:

86075393
Molecular Formula: C12H14O5
Canonical SMILES: CC(=CCOC(=O)C1=CC(=C(C(=C1)O)O)O)C
InChIKey: RLQLGYMGVNUCHP-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

238.24 g/mol

XLogP3

2.4

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

4

Exact Mass

238.08412354 g/mol

Monoisotopic Mass

238.08412354 g/mol

Topological Polar Surface Area

87Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

283

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Cylicodiscus gabonensis
Download SDF