Products for Research Use Only
RegisterLogin

Erythrocentauric acid

CAT: 0804-HY-N3860Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N3860Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Erythrocentauric acid is a Coumarins product that can be isolated from the roots of Gentiana macrophylla.[1].
CAS Number
90921-13-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/erythrocentauric-acid.html
Smiles
O=C(C1=C(C2=CC=C1)CCOC2=O)O
Molecular Formula
C10H8O4
Molecular Weight
192.17
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Erythrocentauric acid
CAS Number90921-13-4
PubChem CID118726453
IUPAC Name1-oxo-3,4-dihydroisochromene-5-carboxylic acid
Molecular FormulaC10H8O4
Molecular Weight192.17
XLogP1.3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity261
SMILES
C1COC(=O)C2=C1C(=CC=C2)C(=O)O
InChI
InChI=1S/C10H8O4/c11-9(12)7-2-1-3-8-6(7)4-5-14-10(8)13/h1-3H,4-5H2,(H,11,12)
InChIKey
VOPDFFBAKXNSRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Erythrocentauric acid
CAS: 90921-13-4
CID: 118726453
Formula: C10H8O4
MW: 192.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.17
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass192.04225873
Monoisotopic Mass192.04225873
Topological Polar Surface Area63.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity261
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

Related Products

CatalogName
HY-N3861Erythrocentaurin
HY-140112-01Acid-PEG2-SS-PEG2-acid
HY-140113-01Acid-PEG3-SS-PEG3-acid
HY-140589Acid-PEG4-S-PEG4-acid
HY-W096114-01Acid-PEG8-S-S-PEG8-acid
HY-140114-01Acid-PEG4-S-S-PEG4-acid
HY-W517110-01Deltamethric acid
HY-W342979-01Petroselaidic acid
HY-W004260-01Arachidic acid
HY-N0787-01Cryptochlorogenic acid

Alternative Products

CatalogName
GTR19181957Erythrocentauric acid
OR1071368-01Acid-apeg6-acid
M2859Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01Oxalacetic Acid (Oxaloacetic acid)
275335-01Ethylenediaminediacetic acid dipropionic acid
MBS6036559-01a-Lipoic Acid (Thioctic Acid)
MBS651473-01Ambuic acid ((+)-Ambuic acid)

Popular Products