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Dihydroferulic acid methyl ester

CAT: 0013-GTR19242865-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242865-01Size:10 mg
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Description
Dihydroferulic acid methyl ester is a natural compound used in life sciences research. It serves as a reference standard and experimental tool in studies investigating phenolic acid metabolism and potential bioactivities in both in vitro and in vivo models.
CAS Number
56024-44-3
Smiles
O=C (OC) CCC1=CC=C (O) C (OC) =C1
Molecular Formula
C11H14O4
Molecular Weight
210.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
CAS Number56024-44-3
PubChem CID523498
IUPAC Namemethyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
Molecular FormulaC11H14O4
Molecular Weight210.23
XLogP1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity205
SMILES
COC1=C(C=CC(=C1)CCC(=O)OC)O
InChI
InChI=1S/C11H14O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3,5,7,12H,4,6H2,1-2H3
InChIKey
PDTCYIZPTRRYOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
CAS: 56024-44-3
CID: 523498
Formula: C11H14O4
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass210.08920892
Monoisotopic Mass210.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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