Caffeic Acid extrapure, 98%

CAT: 0565-42062-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0565-42062-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

Description

Part B

CAS Number

331-39-5

Storage Temperature

8 - 25°C

Chemical Information

Caffeic Acid

Caffeic Acid can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number	331-39-5
PubChem CID	689043
IUPAC Name	(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Molecular Formula	C9H8O4
Molecular Weight	180.16
XLogP	1.2
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	212

SMILES

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

InChI

InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+

InChIKey

QAIPRVGONGVQAS-DUXPYHPUSA-N

Chemical Structure

2D Structure

CAS: 331-39-5

CID: 689043

Formula: C9H8O4

MW: 180.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.16
XLogP3	1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	180.04225873
Monoisotopic Mass	180.04225873
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	212
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

Catalog	Name
77441-01	Chloranilic Acid extrapure, 98%
40881-01	Chlorogenic Acid extrapure, 98%
34516-01	Isobutylboronic Acid extrapure, 98%
62704-01	Oxalacetic Acid extrapure, 98%
54908-01	Cholic Acid extrapure, 98%
81076-01	Quinic Acid extrapure, 98%
55081-01	Oleic Acid extrapure, 98%
90196-01	Tiglic Acid extrapure, 98%
57355-01	Trimesic Acid extrapure, 98%
98099-01	Linoleic Acid (Free Acid) extrapure, 98%

Catalog	Name
GP1593-5g	Caffeic acid