Ferulic acid

Ferulic acid
Compound Structure:
Synonyms: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; (E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid; (E)-4-Hydroxy-3-methoxycinnamic acid; (E)-Coniferic acid; (E)-Ferulate; (E)-Ferulic acid; 3-methoxy-4-hydroxycinnamic acid
Compound ID: NMPC-1050
PubChem ID:

445858
Molecular Formula: C10H10O4
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O
InChIKey: KSEBMYQBYZTDHS-HWKANZROSA-N
About the compound:

Ferulic acid is a ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. It has a role as an antioxidant, a MALDI matrix material, a plant metabolite, an anti-inflammatory agent, an apoptosis inhibitor and a cardioprotective agent. It is a conjugate acid of a ferulate.

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation].
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

194.18 g/mol

XLogP3

1.5

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

3

Exact Mass

194.05790880 g/mol

Monoisotopic Mass

194.05790880 g/mol

Topological Polar Surface Area

66.8Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

224

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

cis-Form is a yellow liquid; trans-Form is a solid; [Merck Index] trans-Isomer: Tan powder; [Alfa Aesar MSDS]

Melting Point

168 - 171 °C

Vapor Pressure

0.00000269 [mmHg]

Source: PubChem                        
Source Species: Elaeis guineensis
Psychotria microphylla
Ficus thonningii
Luffa cylindrica
Talinum triangulare
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