3-Hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid

3-Hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid
Compound Structure:
Synonyms: 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid;1208-13-5; beta,4-Dihydroxy-3-methoxybenzenepropanoic acid;EN300-1843304;3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionic acid
Compound ID: NMPC-358
PubChem ID:

24871597
Molecular Formula: C10H12O5
Canonical SMILES: COC1=C(C=CC(=C1)C(CC(=O)O)O)O
InChIKey: ABTZMSOARGMKMK-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

212.20 g/mol

XLogP3

-0.5

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

4

Exact Mass

212.06847348 g/mol

Monoisotopic Mass

212.06847348 g/mol

Topological Polar Surface Area

87Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

218

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Saccharum officinarum
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