Avenanthramide A

CAT: 1299-RG-A262815-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A262815-01Size:10 mg

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CAS Number

108605-70-5

Synonyms

(E) -5-hydroxy-2- (3- (4-hydroxyphenyl) acrylamido) benzoic acid

Molecular Formula

C16H13NO5

Molecular Weight

299.28

Target Alternative Name

Avenanthramide

Product Name Synonym

(E) -5-hydroxy-2- (3- (4-hydroxyphenyl) acrylamido) benzoic acid

Chemical Information

Avenanthramide A

Avenanthramide A is a hydroxycinnamic acid. It is a conjugate acid of an avenanthramide A(1-).

CAS Number	108605-70-5
PubChem CID	5281157
IUPAC Name	5-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
Molecular Formula	C16H13NO5
Molecular Weight	299.28
XLogP	2.6
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	428

SMILES

C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O

InChI

InChI=1S/C16H13NO5/c18-11-4-1-10(2-5-11)3-8-15(20)17-14-7-6-12(19)9-13(14)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-3+

InChIKey

QGUMNWHANDITDB-FPYGCLRLSA-N

Chemical Structure

2D Structure

CAS: 108605-70-5

CID: 5281157

Formula: C16H13NO5

MW: 299.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.28
XLogP3	2.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	299.07937252
Monoisotopic Mass	299.07937252
Topological Polar Surface Area	107 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	428
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