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Ferulic acid

CAT: 0024-sc-204753Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-204753Size:5 g
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CAS Number
1135-24-6

Chemical Information

Ferulic Acid

Ferulic acid is a member of the class of ferulic acids that is cinnamic acid substituted by a methoxy and a hydroxy group at positions 3 and 4 of the phenyl ring. It has a role as an antioxidant, a neuroprotective agent and a plant metabolite.

CAS Number1135-24-6
PubChem CID445858
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Molecular FormulaC10H10O4
Molecular Weight194.18
XLogP1.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity224
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O)O
InChI
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChIKey
KSEBMYQBYZTDHS-HWKANZROSA-N
Chemical Structure
2D Structure
2D structure of Ferulic Acid
CAS: 1135-24-6
CID: 445858
Formula: C10H10O4
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass194.05790880
Monoisotopic Mass194.05790880
Topological Polar Surface Area66.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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